Geometry & MOs

Info

ID:	133401
PubChem CID:	51521265
Reduced:	O2C10H17 (2)
Stoich.:	A2B10C17 (2)
Weight, g/mol:	338.129337
ΔH_f, kcal/mol:	-233.06
Dipole, Da:	4.98
IP(EA), eV:	-10.13(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-phenylhydrazinyl)naphtho[2,3-e]indol-3-ium-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@]2([C@@H]([C@@]1(C)CC/C(=C/C(=O)O)/C)CC[C@@H]([C@@]2(C)O)O)C

DOS

IR

Vibrations