Geometry & MOs

Info

ID:	402622
PubChem CID:	135056622
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	194.086228
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	5.92
IP(EA), eV:	-8.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,3R)-1-chloro-3-methylpent-1-enyl]benzene

Drug info:

PubChemData

Smile

CC(=O)NC=CC1=CC(=CC=C1)C(=O)OC

DOS

IR

Vibrations