Geometry & MOs

Info

ID:	404987
PubChem CID:	135071997
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	330.140851
ΔH_f, kcal/mol:	-121.77
Dipole, Da:	2.12
IP(EA), eV:	-9.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynyl-3-phenyl-2-(2-phenylphenyl)benzene

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C(CC1)CCC#C)C(=O)OC

DOS

IR

Vibrations