Geometry & MOs

Info

ID:	193243
PubChem CID:	78362770
Reduced:	FN2O4C27H29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	526.11033
ΔH_f, kcal/mol:	-148.36
Dipole, Da:	2.21
IP(EA), eV:	-8.88(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,7-dimethyl-2-(5-methylpyridin-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=CC=CC=N4)OC5CCC(CC5C3=O)F

DOS

IR

Vibrations