Geometry & MOs

Info

ID:	84389
PubChem CID:	49866184
Reduced:	FN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	443.184506
ΔH_f, kcal/mol:	-94.86
Dipole, Da:	3.77
IP(EA), eV:	-8.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[6-(1,3-benzodioxol-4-yl)pyridin-2-yl]methyl]indol-6-yl]-3-hydroxy-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)(CO)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=NC(=CC=C3)C4=C(C=C(C=C4)F)OC

DOS

IR

Vibrations