Geometry & MOs

Info

ID:	6315
PubChem CID:	68066
Reduced:	O8H18C19 (1)
Stoich.:	A8B18C19 (1)
Weight, g/mol:	374.100168
ΔH_f, kcal/mol:	-310.81
Dipole, Da:	8.53
IP(EA), eV:	-9.1(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-formyl-2,4-dihydroxy-6-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O

DOS

IR

Vibrations