Geometry & MOs

Info

ID:	180188
PubChem CID:	76593274
Reduced:	ON2C25H26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	370.204513
ΔH_f, kcal/mol:	56.67
Dipole, Da:	7.38
IP(EA), eV:	-9.36(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethylidene-11-methyl-1-(3-phenylbut-2-enylideneamino)-6-azatricyclo[7.3.1.02,7]trideca-3,6,10-trien-5-one

Drug info:

PubChemData

Smile

CC=C1C2CC3=NC(=O)C=CC3C1(CC(=C2)C)N=CC=CC4=CC=CC(=C4)C

DOS

IR

Vibrations