Geometry & MOs

Info

ID:	217730
PubChem CID:	85088279
Reduced:	ClO7H17C19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	393.142367
ΔH_f, kcal/mol:	-248.32
Dipole, Da:	7.34
IP(EA), eV:	-9.4(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-formyl-6,9-dimethoxy-12,12-dimethyl-11,13,16-trioxa-1-azatetracyclo[7.6.1.02,7.010,14]hexadeca-2(7),3,5-triene-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)OC1=CC(=CC(=C1O)O)C=CC(=O)C2=C(C=C(C=C2)Cl)O

DOS

IR

Vibrations