Geometry & MOs

Info

ID:	48673
PubChem CID:	11110441
Reduced:	NO4H17C20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-93.92
Dipole, Da:	5.19
IP(EA), eV:	-9.19(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/[C@@H](C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations