Geometry & MOs

Info

ID:	265897
PubChem CID:	103556018
Reduced:	Cl2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-112.22
Dipole, Da:	3.32
IP(EA), eV:	-9.19(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(1-methoxycyclobutyl)acetyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Cl)C(=O)CC2(CCC2)OC)Cl

DOS

IR

Vibrations