Geometry & MOs

Info

ID:	61521
PubChem CID:	26710177
Reduced:	ClO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	427.129884
ΔH_f, kcal/mol:	19.28
Dipole, Da:	8.48
IP(EA), eV:	-8.96(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=C/C(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations