Geometry & MOs

Info

ID:	235151
PubChem CID:	92304136
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	412.215078
ΔH_f, kcal/mol:	-14.07
Dipole, Da:	1.72
IP(EA), eV:	-9.11(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-11,11-dimethyl-8-(4-propoxyphenyl)-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one

Drug info:

PubChemData

Smile

CCO[C@@H](C)OC(C)(C)/C(=C\C#N)/N1C=NC2=CC=CC=C21

DOS

IR

Vibrations