Geometry & MOs

Info

ID:	182218
PubChem CID:	76861678
Reduced:	N2O2C12H17 (2)
Stoich.:	A2B2C12D17 (2)
Weight, g/mol:	483.170668
ΔH_f, kcal/mol:	-178.81
Dipole, Da:	4.03
IP(EA), eV:	-8.93(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-[3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CNC(=O)CCN2C3CCCCC3C(=O)NC2=O)N4CCOCC4

DOS

IR

Vibrations