Geometry & MOs

Info

ID:	30477
PubChem CID:	841393
Reduced:	FN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	309.97015
ΔH_f, kcal/mol:	-95.83
Dipole, Da:	9.29
IP(EA), eV:	-9.43(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-4-nitro-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)O[C@H](C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations