Geometry & MOs

Info

ID:	419927
PubChem CID:	135109820
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	335.140055
ΔH_f, kcal/mol:	-132.89
Dipole, Da:	2.57
IP(EA), eV:	-8.95(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-chloropyrazol-1-yl)propyl]-3-(3-methoxy-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)OCC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2)C

DOS

IR

Vibrations