Geometry & MOs

Info

ID:	218239
PubChem CID:	85089074
Reduced:	OF3N5H22C23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	441.178752
ΔH_f, kcal/mol:	-89.04
Dipole, Da:	5.22
IP(EA), eV:	-8.28(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(propan-2-ylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Drug info:

PubChemData

Smile

C1CN(CCN1)CCN2C3=C(C(=NC4=CC=CC=C43)C(F)(F)F)NC2=C5C=CC=CC5=O

DOS

IR

Vibrations