Geometry & MOs

Info

ID:	220259
PubChem CID:	85177149
Reduced:	NC17H19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	238.229666
ΔH_f, kcal/mol:	50.23
Dipole, Da:	2.37
IP(EA), eV:	-8.28(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpentadec-6-yn-4-ol

Drug info:

PubChemData

Smile

CCC1CN(C1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations