Geometry & MOs

Info

ID:	53421
PubChem CID:	14715876
Reduced:	H18C19 (2)
Stoich.:	A18B19 (2)
Weight, g/mol:	382.172151
ΔH_f, kcal/mol:	156.8
Dipole, Da:	1.04
IP(EA), eV:	-7.98(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6,6-triphenylhexa-1,5-dien-3-ynylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=C=C=C=C=C(C2=C(C=C(C=C2)C)C)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)C

DOS

IR

Vibrations