Geometry & MOs

Info

ID:	390723
PubChem CID:	135000552
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	385.0717
ΔH_f, kcal/mol:	-28.53
Dipole, Da:	2.59
IP(EA), eV:	-9.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-methoxyphenyl)benzo[b]quinolizin-5-ium;perchlorate

Drug info:

PubChemData

Smile

CCCC[C@@](C)(C[N+](=O)[O-])C1=CC=C(C=C1)Cl

DOS

IR

Vibrations