Geometry & MOs

Info

ID:	338105
PubChem CID:	127258797
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-83.35
Dipole, Da:	1.29
IP(EA), eV:	-9.22(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylphenyl) N-[(E)-oct-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCCCCC/C=C/NC(=O)OC1=CC=CC=C1Cl

DOS

IR

Vibrations