Geometry & MOs

Info

ID:	10007
PubChem CID:	96147
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	21.03
Dipole, Da:	10.66
IP(EA), eV:	-8.8(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-tert-butyl-2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)OC)C=NNC2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations