Geometry & MOs

Info

ID:	247731
PubChem CID:	103072998
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-21.54
Dipole, Da:	4.04
IP(EA), eV:	-8.8(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1CCCC2=CC=CC=C2C1=O

DOS

IR

Vibrations