Geometry & MOs

Info

ID:	420803
PubChem CID:	135114859
Reduced:	ClO2N4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-43.35
Dipole, Da:	7.87
IP(EA), eV:	-8.98(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)COC2=CC(=CC=C2)Cl

DOS

IR

Vibrations