Geometry & MOs

Info

ID:	217966
PubChem CID:	85088666
Reduced:	N4O8C17H28 (1)
Stoich.:	A4B8C17D28 (1)
Weight, g/mol:	416.183503
ΔH_f, kcal/mol:	-352.06
Dipole, Da:	3.37
IP(EA), eV:	-10.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7-trimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-3,4-dihydro-1H-naphthalen-2-ol

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(CNC(=O)C1C(O1)C(=O)N)C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations