Geometry & MOs

Info

ID:	338098
PubChem CID:	127258729
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-95.49
Dipole, Da:	0.61
IP(EA), eV:	-9.09(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-ylphenyl) N-[(Z)-2-chlorobut-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)OC(=O)N/C=C(/CC)\Cl)CC

DOS

IR

Vibrations