Geometry & MOs

Info

ID:	422354
PubChem CID:	135117683
Reduced:	ClNO4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-172.32
Dipole, Da:	8.74
IP(EA), eV:	-9.2(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Cl)OC)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations