Geometry & MOs

Info

ID:	85095
PubChem CID:	49871709
Reduced:	NC9H11 (1)
Stoich.:	AB9C11 (1)
Weight, g/mol:	280.276616
ΔH_f, kcal/mol:	20.71
Dipole, Da:	1.39
IP(EA), eV:	-8.27(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-methyloctadec-4-yn-1-ol

Drug info:

PubChemData

Smile

CC1=CCC2=C(C1)C=CN2

DOS

IR

Vibrations