Geometry & MOs

Info

ID:	168816
PubChem CID:	75022525
Reduced:	ClO4N6C19H23 (1)
Stoich.:	AB4C6D19E23 (1)
Weight, g/mol:	403.155036
ΔH_f, kcal/mol:	-89.26
Dipole, Da:	4.54
IP(EA), eV:	-8.91(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-2-[(7-chloro-8b-hydroxy-2,3a-dihydro-1H-furo[2,3-b]indol-4-yl)methyl]-2,5-dimethylcyclopent-4-ene-1,3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)CN)O

DOS

IR

Vibrations