Geometry & MOs

Info

ID:	247495
PubChem CID:	103071895
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	8.12
Dipole, Da:	1.46
IP(EA), eV:	-8.87(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(ethylaminomethyl)prop-2-enyl]-4,5-dihydro-3H-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C=NC2=CC=CC=C2C1=O

DOS

IR

Vibrations