Geometry & MOs

Info

ID:	385087
PubChem CID:	134978290
Reduced:	BLiN2C9H20 (1)
Stoich.:	ABC2D9E20 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-34.99
Dipole, Da:	4.75
IP(EA), eV:	-6.9(1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,2S,3E,6S)-3-ethylidene-6-propylcyclohex-4-ene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

[Li+].B(C1CC[CH-]C1)(N(C)C)N(C)C

DOS

IR

Vibrations