Geometry & MOs

Info

ID:	406848
PubChem CID:	135078785
Reduced:	LiO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	339.08339
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	7.59
IP(EA), eV:	-7.43(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2-bromo-4,6-dimethylphenyl)-N-cyclohexylcarbamate

Drug info:

PubChemData

Smile

[Li+].CCCCC=C=C[C@@H](COCC1=CC=CC=C1)[O-]

DOS

IR

Vibrations