Geometry & MOs

Info

ID:	380813
PubChem CID:	134971378
Reduced:	N2O7C14H14 (1)
Stoich.:	A2B7C14D14 (1)
Weight, g/mol:	251.154824
ΔH_f, kcal/mol:	-125.15
Dipole, Da:	5.57
IP(EA), eV:	-9.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,1-dimethyl-3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-ium

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C(=O)OC

DOS

IR

Vibrations