Geometry & MOs

Info

ID:	15732
PubChem CID:	448289
Reduced:	O2C25H26 (1)
Stoich.:	A2B25C26 (1)
Weight, g/mol:	358.19328
ΔH_f, kcal/mol:	-37.1
Dipole, Da:	5.11
IP(EA), eV:	-9.31(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(1S)-1,2-diphenylbutyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)CCC(=O)O

DOS

IR

Vibrations