Geometry & MOs

Info

ID:	403929
PubChem CID:	135062663
Reduced:	FO6C20H25 (1)
Stoich.:	AB6C20D25 (1)
Weight, g/mol:	366.16198
ΔH_f, kcal/mol:	-289.56
Dipole, Da:	2.06
IP(EA), eV:	-9.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O/C=C/C4=CC=C(C=C4)F)C

DOS

IR

Vibrations