Geometry & MOs

Info

ID:	61257
PubChem CID:	26707497
Reduced:	ClO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	2.96
IP(EA), eV:	-9.15(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations