Geometry & MOs

Info

ID:	419758
PubChem CID:	135108974
Reduced:	O3N5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-109.8
Dipole, Da:	2.4
IP(EA), eV:	-9.92(0.09)
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,2-dimethyl-2-(4-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)NC(=O)[C@@H]5CC[C@@H]([C@@H](C5)OC)O

DOS

IR

Vibrations