Geometry & MOs

Info

ID:	47850
PubChem CID:	10535608
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	-197.07
Dipole, Da:	2.67
IP(EA), eV:	-10.04(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-hydroxy-2-methylheptanoate

Drug info:

PubChemData

Smile

CC1(OCCCO1)CCC(=O)OC

DOS

IR

Vibrations