Geometry & MOs

Info

ID:	380010
PubChem CID:	134964478
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	230.094294
ΔH_f, kcal/mol:	15.25
Dipole, Da:	1.19
IP(EA), eV:	-8.57(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-[(1R)-1-hydroxyprop-2-ynyl]-2-methoxy-5-methylphenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CCC1(CCCCN1CC2=CC=CC=C2)CC=C

DOS

IR

Vibrations