Geometry & MOs

Info

ID:	347642
PubChem CID:	127272508
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	4.81
IP(EA), eV:	-8.45(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=C(C4=C(CC(O4)(C)C)C=C3)O

DOS

IR

Vibrations