Geometry & MOs

Info

ID:	331227
PubChem CID:	127248634
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	439.210721
ΔH_f, kcal/mol:	-97.73
Dipole, Da:	6.7
IP(EA), eV:	-8.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)-1-[3-[3-(morpholine-4-carbonyl)pyridin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(N=CC=C1)C2CCN(C2)C(=O)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations