Geometry & MOs

Info

ID:	252528
PubChem CID:	103112027
Reduced:	N4O4H12C13 (1)
Stoich.:	A4B4C12D13 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	33.25
Dipole, Da:	7.67
IP(EA), eV:	-9.81(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=C(C=NC=C2)[N+](=O)[O-]

DOS

IR

Vibrations