Geometry & MOs

Info

ID:	265398
PubChem CID:	103519577
Reduced:	BrO2N4C14H21 (1)
Stoich.:	AB2C4D14E21 (1)
Weight, g/mol:	343.06439
ΔH_f, kcal/mol:	10.73
Dipole, Da:	2.52
IP(EA), eV:	-8.83(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-4-amine

Drug info:

PubChemData

Smile

CC(C)NCC1CCCN(C1)C2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations