Geometry & MOs

Info

ID:	24994
PubChem CID:	616428
Reduced:	NOH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	249.115364
ΔH_f, kcal/mol:	24.47
Dipole, Da:	3.99
IP(EA), eV:	-9.34(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-prop-2-enyl-7H-benzo[d][2]benzazepin-5-one

Drug info:

PubChemData

Smile

C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1=O

DOS

IR

Vibrations