Geometry & MOs

Info

ID:	389496
PubChem CID:	134993303
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-55.39
Dipole, Da:	4.15
IP(EA), eV:	-9.1(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-phenylethenyl)hexanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC1=C(NC=C1)C(=O)C

DOS

IR

Vibrations