Geometry & MOs

Info

ID:	168313
PubChem CID:	74951131
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	308.162374
ΔH_f, kcal/mol:	-175.53
Dipole, Da:	1.63
IP(EA), eV:	-9.92(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-2-[(4-methoxyphenyl)methoxy]-5-methylhex-5-enoate

Drug info:

PubChemData

Smile

CC(=C)CC(C(C(=O)OC)O)OC

DOS

IR

Vibrations