Geometry & MOs

Info

ID:	252527
PubChem CID:	103112026
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	288.085855
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	6.38
IP(EA), eV:	-9.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CN=CC=C2)C(=O)OCCOC

DOS

IR

Vibrations