Geometry & MOs

Info

ID:	268324
PubChem CID:	103598921
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-35.67
Dipole, Da:	7.79
IP(EA), eV:	-8.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-tert-butylpyrazol-4-yl)-3-(2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C=NOC

DOS

IR

Vibrations