Geometry & MOs

Info

ID:	200635
PubChem CID:	79418771
Reduced:	BrC17H19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	264.11503
ΔH_f, kcal/mol:	16.92
Dipole, Da:	2.47
IP(EA), eV:	-9.05(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-phenylpent-4-ynoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(CBr)C2=CC=CC=C2C

DOS

IR

Vibrations