Geometry & MOs

Info

ID:	247496
PubChem CID:	103071924
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-21.46
Dipole, Da:	4.07
IP(EA), eV:	-8.82(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C(=O)CCCC2=CC=CC=C21

DOS

IR

Vibrations