Geometry & MOs

Info

ID:	383975
PubChem CID:	134976095
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	159.068414
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	3.57
IP(EA), eV:	-9.41(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-2-prop-2-ynylpent-4-ynenitrile

Drug info:

PubChemData

Smile

CC(=CCCC([C@H]1CO[C@@H]1C2=CC=CC=C2)O)C

DOS

IR

Vibrations