Geometry & MOs

Info

ID:	175506
PubChem CID:	75911603
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	445.176834
ΔH_f, kcal/mol:	-16.4
Dipole, Da:	3.86
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)N4C=CC=C4)C(=O)N

DOS

IR

Vibrations