Geometry & MOs

Info

ID:

187768

PubChem CID:

77621667

Reduced:

FO3N8C39H53 (1)

Stoich.:

AB3C8D39E53 (1)

Weight, g/mol:

582.13972

ΔHf, kcal/mol:

-115.16

Dipole, Da:

3.53

IP(EA), eV:

 -8.76(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(3-amino-3-phenylpropyl)-3-[(4-bromophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)C2=NC3=C(C=CC(=C3)N(C4CC5CC(C4C)C5(C)C)C(=N)N6CC(NC(=O)C6)C)C(=O)N2CCC7=C(C=C(C=C7)OC)F

DOS

IR

Vibrations