Geometry & MOs

Info

ID:	22680
PubChem CID:	598347
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	14.4
Dipole, Da:	2.58
IP(EA), eV:	-9.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,2-dimethyl-1-(2-phenylethynyl)cyclopropyl]propan-2-ol

Drug info:

PubChemData

Smile

CC1(CC1(C#CC2=CC=CC=C2)C(C)(C)O)C

DOS

IR

Vibrations