Geometry & MOs

Info

ID:	405228
PubChem CID:	135073066
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	394.19328
ΔH_f, kcal/mol:	-60.65
Dipole, Da:	4.64
IP(EA), eV:	-9.91(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2E)-2-[(4-methylphenyl)methylidene]cyclopropyl]methoxy]-1,1-diphenylbut-2-yn-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1C[C@H]2[C@@H]([C@H]1C#CC)O2)OC(=O)CCCCCCCC#CC

DOS

IR

Vibrations