Geometry & MOs

Info

ID:	162612
PubChem CID:	57410733
Reduced:	ClO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	435.18821
ΔH_f, kcal/mol:	-49.68
Dipole, Da:	8.59
IP(EA), eV:	-8.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-propoxypyrazin-2-yl)-3-[6-(trifluoromethyl)pyridin-3-yl]-1,3-diazaspiro[4.5]decan-2-one

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)N2C(=O)N(CC23CCCCC3)C4=CN=C(C=C4)Cl

DOS

IR

Vibrations