Geometry & MOs

Info

ID:	145993
PubChem CID:	53621617
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	319.096834
ΔH_f, kcal/mol:	2.57
Dipole, Da:	5.6
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-4-yl)ethyl (E)-3-(4-fluoro-2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)N)NC(=O)C2=CC(=CC=C2)N3C=CC=N3

DOS

IR

Vibrations