Geometry & MOs

Info

ID:	210189
PubChem CID:	80772956
Reduced:	BrClO2N5H7C10 (1)
Stoich.:	ABC2D5E7F10 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	45.25
Dipole, Da:	2.69
IP(EA), eV:	-9.48(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-1-N-propyl-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N

DOS

IR

Vibrations