Geometry & MOs

Info

ID:	422175
PubChem CID:	135117341
Reduced:	N3O4C22H33 (1)
Stoich.:	A3B4C22D33 (1)
Weight, g/mol:	336.12407
ΔH_f, kcal/mol:	-170.95
Dipole, Da:	4.59
IP(EA), eV:	-8.32(0.12)
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]-4-chloro-2-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)C(=O)N3CCC4(CC3)CC(CCO4)(CO)O

DOS

IR

Vibrations