Geometry & MOs

Info

ID:	382585
PubChem CID:	134973842
Reduced:	O2C29H46 (1)
Stoich.:	A2B29C46 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-155.28
Dipole, Da:	0.76
IP(EA), eV:	-9.2(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-pyridin-3-ylpent-4-yn-2-ol

Drug info:

PubChemData

Smile

CC(C)CCCC(=C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C

DOS

IR

Vibrations