Geometry & MOs

Info

ID:	27324
PubChem CID:	820635
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	308.107339
ΔH_f, kcal/mol:	-70.59
Dipole, Da:	4.6
IP(EA), eV:	-9.18(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzylideneamino)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC)C(=O)NC

DOS

IR

Vibrations