Geometry & MOs

Info

ID:	82301
PubChem CID:	49855869
Reduced:	O6C21H32 (1)
Stoich.:	A6B21C32 (1)
Weight, g/mol:	380.219889
ΔH_f, kcal/mol:	-286.21
Dipole, Da:	5.19
IP(EA), eV:	-8.62(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(3-methylbutyl) 2-[(4-hydroxy-3-methoxyphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)COC(=O)C(CC1=CC(=C(C=C1)O)OC)C(=O)OCC(C)(C)C

DOS

IR

Vibrations