Geometry & MOs

Info

ID:	200743
PubChem CID:	79436149
Reduced:	ClNC19H24 (1)
Stoich.:	ABC19D24 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	14.12
Dipole, Da:	2.47
IP(EA), eV:	-8.96(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)hex-5-enoic acid

Drug info:

PubChemData

Smile

CCNCC(CCCC1=CC=CC=C1)C2=CC=CC=C2Cl

DOS

IR

Vibrations