Geometry & MOs

Info

ID:	244490
PubChem CID:	99355728
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	354.124739
ΔH_f, kcal/mol:	-122.57
Dipole, Da:	4.39
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroanilino)-N-[2-(2-phenylethyl)pyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(N=CC=C1)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations