Geometry & MOs

Info

ID:	338097
PubChem CID:	127258728
Reduced:	NCl2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	0.95
IP(EA), eV:	-9.24(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-diethylphenyl) N-[(Z)-2-chlorobut-1-enyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations