Geometry & MOs

Info

ID:	423495
PubChem CID:	135119601
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-65.58
Dipole, Da:	6.14
IP(EA), eV:	-9.42(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[(2-methoxy-4-methylphenyl)methyl-methylamino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

COC1=CC(=NC=C1)C(=O)N(CCO)CC2=NC=CN2

DOS

IR

Vibrations