Geometry & MOs

Info

ID:	383922
PubChem CID:	134975971
Reduced:	LiNOPC10H19 (1)
Stoich.:	ABCDE10F19 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-104.36
Dipole, Da:	9.65
IP(EA), eV:	-6.81(1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,6S)-2,6-dimethyl-1-prop-2-enylcyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

[Li+].CCN(CC)P1(=O)CC(=C([CH-]1)C)C

DOS

IR

Vibrations