Geometry & MOs

Info

ID:	338113
PubChem CID:	127258805
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-68.32
Dipole, Da:	1.11
IP(EA), eV:	-9.24(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations