Geometry & MOs

Info

ID:	380633
PubChem CID:	134971132
Reduced:	LiN2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	30.91
Dipole, Da:	7.54
IP(EA), eV:	-7.43(1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R)-2-methoxy-1-methylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

[Li+].CC1=CC(=NC(=[C-]1)C)N(C)C

DOS

IR

Vibrations