Geometry & MOs

Info

ID:	384996
PubChem CID:	134978109
Reduced:	O3H26C27 (1)
Stoich.:	A3B26C27 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	6.46
Dipole, Da:	3.77
IP(EA), eV:	-8.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(=C=C=C(C1=CC=C(C=C1)OC)C(C2=CC=CC=C2)O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations