Geometry & MOs

Info

ID:	217295
PubChem CID:	85087574
Reduced:	O6C19H26 (1)
Stoich.:	A6B19C26 (1)
Weight, g/mol:	350.172939
ΔH_f, kcal/mol:	-224.89
Dipole, Da:	3.14
IP(EA), eV:	-9.91(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-acetyloxy-6-methoxy-5-methyl-7-phenylmethoxyhept-2-enoate

Drug info:

PubChemData

Smile

CC=CC(=O)OC1C(C2C3(C1(C4(CC(C(=CC4O2)C)O)C)C)CO3)O

DOS

IR

Vibrations