Geometry & MOs

Info

ID:	235152
PubChem CID:	92304137
Reduced:	N2O2C27H28 (1)
Stoich.:	A2B2C27D28 (1)
Weight, g/mol:	412.215078
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	3.93
IP(EA), eV:	-8.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)[C@@H]2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=C4C=CC=N5

DOS

IR

Vibrations