Geometry & MOs

Info

ID:	217822
PubChem CID:	85088435
Reduced:	N2O5H18C23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	402.167853
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	2.8
IP(EA), eV:	-8.51(-1.28)
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-methyl-3,4-dihydro-1H-naphthalen-2-ol

Drug info:

PubChemData

Smile

COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NNC=C3C4=CC=CC=C4C=C(C3=O)O

DOS

IR

Vibrations