Geometry & MOs

Info

ID:	399264
PubChem CID:	135039235
Reduced:	O3C17H26 (1)
Stoich.:	A3B17C26 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-124.94
Dipole, Da:	2.21
IP(EA), eV:	-9.66(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid

Drug info:

PubChemData

Smile

CCCCC(=C=C(C)C(=O)OC)C1(CCCCC1)C=O

DOS

IR

Vibrations