Geometry & MOs

Info

ID:	366977
PubChem CID:	127322431
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	-81.78
Dipole, Da:	5.22
IP(EA), eV:	-9.14(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4CC4

DOS

IR

Vibrations