Geometry & MOs

Info

ID:	338100
PubChem CID:	127258731
Reduced:	NCl2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-78.42
Dipole, Da:	0.99
IP(EA), eV:	-9.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylphenyl) N-[(Z)-2-chloropent-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCC/C(=C/NC(=O)OC1=CC=CC=C1Cl)/Cl

DOS

IR

Vibrations