Geometry & MOs

Info

ID:	252522
PubChem CID:	103111997
Reduced:	O3N4C12H12 (1)
Stoich.:	A3B4C12D12 (1)
Weight, g/mol:	335.02694
ΔH_f, kcal/mol:	5.26
Dipole, Da:	6.07
IP(EA), eV:	-8.84(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=NC=CNC2=O

DOS

IR

Vibrations