Geometry & MOs

Info

ID:	386044
PubChem CID:	134980604
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-131.04
Dipole, Da:	1.86
IP(EA), eV:	-10.01(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylidene-4-pentan-3-ylidene-2,3-dihydrooxepine

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\1/[C@H]([C@@H](CCC1=C)C(=O)C)C

DOS

IR

Vibrations