Geometry & MOs

Info

ID:	220714
PubChem CID:	85230663
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	216.078644
ΔH_f, kcal/mol:	-6.32
Dipole, Da:	2.54
IP(EA), eV:	-8.89(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-3H-1-benzoxecine-2,7-dione

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC3CC2C(=O)C3

DOS

IR

Vibrations