Geometry & MOs

Info

ID:	265388
PubChem CID:	103519296
Reduced:	BrO2N3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	354.97232
ΔH_f, kcal/mol:	9.15
Dipole, Da:	5.66
IP(EA), eV:	-9.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-nitropyridin-4-amine

Drug info:

PubChemData

Smile

CC1(CCCC1)NC2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations