Geometry & MOs

Info

ID:	69207
PubChem CID:	46530454
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	489.216475
ΔH_f, kcal/mol:	-54.56
Dipole, Da:	6.01
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-diphenylpyrazol-4-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)NC(C2=CC=C(C=C2)OC)C3=NC=CN3C

DOS

IR

Vibrations