Geometry & MOs

Info

ID:	438284
PubChem CID:	135228015
Reduced:	BrN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	-13.44
Dipole, Da:	6.05
IP(EA), eV:	-9.82(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-methyl-C-(1-methyl-2-methyliminoethanehydrazonoyl)carbonimidoyl]-2-N-[oxan-4-yl(pyridin-2-yl)methyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

C1COCCC1C(C2=CC=CC=C2)NC3=CC(=NC=C3[N+](=O)[O-])Br

DOS

IR

Vibrations