Geometry & MOs

Info

ID:	252493
PubChem CID:	103111762
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	335.02694
ΔH_f, kcal/mol:	-8.35
Dipole, Da:	3.6
IP(EA), eV:	-9.96(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=C(C=CC=N2)C)CN

DOS

IR

Vibrations