Geometry & MOs

Info

ID:	419460
PubChem CID:	135108206
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-103.95
Dipole, Da:	4.12
IP(EA), eV:	-9.23(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(methylamino)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC[C@@]3(C2)CCC[C@H]3O)C

DOS

IR

Vibrations