Geometry & MOs

Info

ID:	423591
PubChem CID:	135119787
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	362.199428
ΔH_f, kcal/mol:	-172.19
Dipole, Da:	5.27
IP(EA), eV:	-8.85(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2-methylphenyl)benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=CC=C2CN3CCC4(CC3)C(CC(=O)N4)C(=O)O

DOS

IR

Vibrations