Geometry & MOs

Info

ID:	66118
PubChem CID:	46493567
Reduced:	ClN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-76.03
Dipole, Da:	3.52
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-morpholin-4-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations