Geometry & MOs

Info

ID:	404033
PubChem CID:	135064645
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	-144.3
Dipole, Da:	1.67
IP(EA), eV:	-8.97(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/[C@H]([C@@H](C(=O)OC)OC)O

DOS

IR

Vibrations