Geometry & MOs

Info

ID:	252523
PubChem CID:	103112002
Reduced:	BrO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	288.085855
ΔH_f, kcal/mol:	33.79
Dipole, Da:	6.0
IP(EA), eV:	-8.78(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-4-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)NCC2=C(C(=CC=C2)[N+](=O)[O-])C)Br

DOS

IR

Vibrations