Geometry & MOs

Info

ID:	338096
PubChem CID:	127258727
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	259.016684
ΔH_f, kcal/mol:	-88.14
Dipole, Da:	0.98
IP(EA), eV:	-9.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl) N-[(Z)-2-chlorobut-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1OC(=O)N/C=C(/CC)\Cl

DOS

IR

Vibrations