Geometry & MOs

Info

ID:	308042
PubChem CID:	125312556
Reduced:	FN2O5H19C24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	343.132077
ΔH_f, kcal/mol:	-113.2
Dipole, Da:	4.04
IP(EA), eV:	-8.88(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)methyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OC2=C(N=NC2)C3=C(C=C(C=C3)OCC4=CC=C(C=C4)F)O

DOS

IR

Vibrations