Geometry & MOs

Info

ID:	122644
PubChem CID:	50815990
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	427.166269
ΔH_f, kcal/mol:	-23.21
Dipole, Da:	6.4
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN(C)C

DOS

IR

Vibrations