Geometry & MOs

Info

ID:	160029
PubChem CID:	57304399
Reduced:	ON3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	461.279075
ΔH_f, kcal/mol:	20.63
Dipole, Da:	3.6
IP(EA), eV:	-9.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(1-pentylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamoyl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)NN1

DOS

IR

Vibrations