Geometry & MOs

Info

ID:	247730
PubChem CID:	103072993
Reduced:	ON2C15H28 (1)
Stoich.:	AB2C15D28 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-70.57
Dipole, Da:	4.08
IP(EA), eV:	-8.82(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1CC(CC1=O)C(C)(C)C

DOS

IR

Vibrations