Geometry & MOs

Info

ID:	156946
PubChem CID:	56394941
Reduced:	ClN3O3C22H32 (1)
Stoich.:	AB3C3D22E32 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	-140.16
Dipole, Da:	5.43
IP(EA), eV:	-8.18(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC2CCN(C2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations