Geometry & MOs

Info

ID:

227328

PubChem CID:

87561310

Reduced:

ClOF2N4C15H19 (1)

Stoich.:

ABC2D4E15F19 (1)

Weight, g/mol:

908.442373

ΔHf, kcal/mol:

-92.0

Dipole, Da:

7.67

IP(EA), eV:

 -8.8(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-(difluoromethoxy)phenyl]methyl]-8-ethyl-1-[(4-fluorophenyl)methyl]-1,2,8-triazaspiro[4.5]decan-3-one;1-[(4-ethylphenyl)methyl]-8-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,8-triazaspiro[4.5]decan-3-one

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C2=NC(=NC3=C2OC=C3)Cl)NCC(F)F

DOS

IR

Vibrations