Geometry & MOs

Info

ID:	402653
PubChem CID:	135056727
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	234.081143
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	1.51
IP(EA), eV:	-9.67(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4-methyl-6-methylidene-2,3-dihydrooxepine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=C1)C2=NC=CC(=N2)C

DOS

IR

Vibrations