Geometry & MOs

Info

ID:	62289
PubChem CID:	26718949
Reduced:	BrO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	430.00252
ΔH_f, kcal/mol:	24.41
Dipole, Da:	3.25
IP(EA), eV:	-8.89(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-bromobenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)NNC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations