Geometry & MOs

Info

ID:	25915
PubChem CID:	633536
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	391.251129
ΔH_f, kcal/mol:	-28.01
Dipole, Da:	2.99
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-4-azatetracyclo[13.6.0.02,6.07,14]henicos-14-ene-3,5-dione

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(C2=C1CSC(C2)(C)C)C#N)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations