Geometry & MOs

Info

ID:	159364
PubChem CID:	57269704
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	337.130065
ΔH_f, kcal/mol:	2.09
Dipole, Da:	4.25
IP(EA), eV:	-9.62(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

10-imino-7-methyl-2-[(4-nitrophenyl)methyl]-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(12),3,7-trien-11-one

Drug info:

PubChemData

Smile

CC(CCCC1=CC=NC=C1)OC2=CC=NC=C2

DOS

IR

Vibrations