Geometry & MOs

Info

ID:	403897
PubChem CID:	135062492
Reduced:	O2C27H36 (1)
Stoich.:	A2B27C36 (1)
Weight, g/mol:	458.22458
ΔH_f, kcal/mol:	-28.93
Dipole, Da:	1.96
IP(EA), eV:	-9.16(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-(4-tert-butylphenyl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)C(C)OC#CCOCC2=CC=CC=C2)C(C)C

DOS

IR

Vibrations