Geometry & MOs

Info

ID:	38397
PubChem CID:	8034692
Reduced:	OSN2C10H12 (2)
Stoich.:	ABC2D10E12 (2)
Weight, g/mol:	385.153875
ΔH_f, kcal/mol:	-43.78
Dipole, Da:	3.51
IP(EA), eV:	-8.6(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[10-(2-methoxyphenyl)-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCN1C2=C(C(=O)N(C(=N2)C)CC(=O)N[C@@H](C)CCC3=CC=CC=C3)SC1=S

DOS

IR

Vibrations