Geometry & MOs

Info

ID:	27006
PubChem CID:	811129
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	346.142976
ΔH_f, kcal/mol:	9.29
Dipole, Da:	6.34
IP(EA), eV:	-9.88(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-bis(6-methylpyridin-2-yl)benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations