Geometry & MOs

Info

ID:	247497
PubChem CID:	103071926
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-37.89
Dipole, Da:	2.46
IP(EA), eV:	-8.73(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations