Geometry & MOs

Info

ID:	404369
PubChem CID:	135066038
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-119.11
Dipole, Da:	2.62
IP(EA), eV:	-9.49(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-hydroxy-6-methyl-6-phenylmethoxyhept-4-ynoate

Drug info:

PubChemData

Smile

COC(=O)C[C@H](C#CCCOCC1=CC=CC=C1)O

DOS

IR

Vibrations