Geometry & MOs

Info

ID:	342613
PubChem CID:	127265773
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-26.17
Dipole, Da:	4.22
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetyl-3-methylphenyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C=CC2=C(N(N=C2)C)C)C(=O)C

DOS

IR

Vibrations