Geometry & MOs

Info

ID:	284271
PubChem CID:	104039143
Reduced:	N7C8H11 (1)
Stoich.:	A7B8C11 (1)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	99.01
Dipole, Da:	4.96
IP(EA), eV:	-8.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(2-nitrophenyl)methyl]pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C1=NNN=N1)NC2=CC(=NC=C2)N

DOS

IR

Vibrations