Geometry & MOs

Info

ID:	409670
PubChem CID:	135082452
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	178.110613
ΔH_f, kcal/mol:	37.85
Dipole, Da:	5.32
IP(EA), eV:	-9.24(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(diethylamino)azepin-4-one

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=CC(=O)C=C1C(C)C

DOS

IR

Vibrations