Geometry & MOs

Info

ID:	421985
PubChem CID:	135116967
Reduced:	O4N7C31H37 (1)
Stoich.:	A4B7C31D37 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	4.32
Dipole, Da:	7.23
IP(EA), eV:	-8.54(-0.78)
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]-3-(4-hydroxyphenyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)CC4=CC(=CC=C4)N5C=CC=N5

DOS

IR

Vibrations