Geometry & MOs

Info

ID:	53315
PubChem CID:	14710325
Reduced:	O2C21H28 (1)
Stoich.:	A2B21C28 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-64.43
Dipole, Da:	3.73
IP(EA), eV:	-8.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(furan-2-ylmethylidene)-7-hexyloxepan-3-one

Drug info:

PubChemData

Smile

CCCCCCC1CCCC(=O)/C(=C/C=C/C2=CC=CC=C2)/O1

DOS

IR

Vibrations