Geometry & MOs

Info

ID:	388131
PubChem CID:	134988286
Reduced:	IO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-109.42
Dipole, Da:	4.3
IP(EA), eV:	-10.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1S,6R)-6-acetyl-4-methylidenecyclohex-2-en-1-yl]propanoate

Drug info:

PubChemData

Smile

CCCCCC(CCI)C(=O)O

DOS

IR

Vibrations