Geometry & MOs

Info

ID:	421992
PubChem CID:	135116976
Reduced:	O2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	341.106168
ΔH_f, kcal/mol:	-7.27
Dipole, Da:	4.92
IP(EA), eV:	-9.52(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations