Geometry & MOs

Info

ID:	402636
PubChem CID:	135056651
Reduced:	NO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	230.13068
ΔH_f, kcal/mol:	-26.5
Dipole, Da:	4.62
IP(EA), eV:	-10.07(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCC=CC1=CC(=CC=C1)C#N

DOS

IR

Vibrations