Geometry & MOs

Info

ID:	21608
PubChem CID:	589205
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	21.69
Dipole, Da:	2.22
IP(EA), eV:	-9.48(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-3-propan-2-ylhept-1-en-5-yn-4-ol

Drug info:

PubChemData

Smile

CC#CC(C1=CC=CC=C1)(C(C=C)C(C)C)O

DOS

IR

Vibrations