Geometry & MOs

Info

ID:	143372
PubChem CID:	53198506
Reduced:	ClO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-49.45
Dipole, Da:	4.59
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)NC3=NNC(=C3C4=CC=CC=C4)C

DOS

IR

Vibrations