Geometry & MOs

Info

ID:	62244
PubChem CID:	26718551
Reduced:	BrO3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	436.03823
ΔH_f, kcal/mol:	10.8
Dipole, Da:	6.37
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-bromobenzoyl)-4-(2-methoxyethylamino)-3-nitrobenzohydrazide

Drug info:

PubChemData

Smile

COC1=CN(N=C1C(=O)NNC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

DOS

IR

Vibrations