Geometry & MOs

Info

ID:	423743
PubChem CID:	135120145
Reduced:	N6C25H30 (1)
Stoich.:	A6B25C30 (1)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	81.71
Dipole, Da:	3.4
IP(EA), eV:	-8.62(-0.75)
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-4-(4-propylphenyl)benzamide

Drug info:

PubChemData

Smile

CC(C)NC1=NC=C(C=N1)CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations