Geometry & MOs

Info

ID:	177773
PubChem CID:	76229105
Reduced:	SO4N5C21H29 (1)
Stoich.:	AB4C5D21E29 (1)
Weight, g/mol:	438.169191
ΔH_f, kcal/mol:	-169.04
Dipole, Da:	4.33
IP(EA), eV:	-8.94(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoylamino]benzamide

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC3=C(C=C2)SCC(=O)N3)N

DOS

IR

Vibrations