Geometry & MOs

Info

ID:	404495
PubChem CID:	135066554
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	4.41
IP(EA), eV:	-9.47(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8aR)-1-[(E)-but-2-enyl]-2-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CCC1C2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations