Geometry & MOs

Info

ID:	68630
PubChem CID:	46508797
Reduced:	O3N4H22C25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	453.205242
ΔH_f, kcal/mol:	57.65
Dipole, Da:	3.43
IP(EA), eV:	-9.17(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations