Geometry & MOs

Info

ID:	411327
PubChem CID:	135084150
Reduced:	OC15H16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	198.140851
ΔH_f, kcal/mol:	62.85
Dipole, Da:	2.25
IP(EA), eV:	-9.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene

Drug info:

PubChemData

Smile

CC1([C@H](O1)C2(CC2)C#CC3=CC=CC=C3)C

DOS

IR

Vibrations