Geometry & MOs

Info

ID:	168312
PubChem CID:	74951130
Reduced:	O7C23H32 (1)
Stoich.:	A7B23C32 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-306.77
Dipole, Da:	2.43
IP(EA), eV:	-9.7(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-methoxy-5-methylhex-5-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C2C(CCC3C2(C4=C(CC(OC14C)(C)C=C)OC(=O)O3)C)(C)C)O

DOS

IR

Vibrations