Geometry & MOs

Info

ID:	156606
PubChem CID:	56371328
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	436.236208
ΔH_f, kcal/mol:	-93.56
Dipole, Da:	6.53
IP(EA), eV:	-8.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)CCN3C4=CC=CC=C4C(=O)C=N3)OC

DOS

IR

Vibrations