Geometry & MOs

Info

ID:	56314
PubChem CID:	17425077
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	488.161518
ΔH_f, kcal/mol:	-48.37
Dipole, Da:	3.76
IP(EA), eV:	-8.61(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)OC

DOS

IR

Vibrations