Geometry & MOs

Info

ID:	79551
PubChem CID:	49829463
Reduced:	NSO6C22H24 (1)
Stoich.:	ABC6D22E24 (1)
Weight, g/mol:	446.170253
ΔH_f, kcal/mol:	-143.29
Dipole, Da:	7.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.892856
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CCCC(=O)[O-])OC

DOS

IR

Vibrations