Geometry & MOs

Info

ID:	280542
PubChem CID:	103849816
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	417.93507
ΔH_f, kcal/mol:	-200.13
Dipole, Da:	4.29
IP(EA), eV:	-8.61(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dibromo-N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)O)C(=O)NCC2(CCOC2)O

DOS

IR

Vibrations