Geometry & MOs

Info

ID:	407761
PubChem CID:	135080516
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-87.94
Dipole, Da:	1.8
IP(EA), eV:	-8.57(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-1-methyl-3,5-dihydro-2H-1-benzazepin-4-one

Drug info:

PubChemData

Smile

CCCC(=O)C1=CN(C=CC=C1)C(=O)OC

DOS

IR

Vibrations