Geometry & MOs

Info

ID:	338101
PubChem CID:	127258732
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	225.055656
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	1.11
IP(EA), eV:	-8.96(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl) N-[(Z)-2-chloroprop-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCC/C(=C/NC(=O)OC1=CC(=C(C=C1)C)C)/Cl

DOS

IR

Vibrations