Geometry & MOs

Info

ID:	166469
PubChem CID:	74694784
Reduced:	N3O4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	376.96473
ΔH_f, kcal/mol:	-57.98
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752457
Charge, e:	-2

Chem-info

IUPAC name:

4-[2-[(5-bromo-3-nitro-2-oxidophenyl)methylidene]hydrazinyl]benzoate

Drug info:

PubChemData

Smile

C1COCC[NH+]1CCCN2C(C(=C(C3=CC=CC=C3)O)C(=O)C2=O)C4=CC=NC=C4

DOS

IR

Vibrations