Geometry & MOs

Info

ID:	181385
PubChem CID:	76740548
Reduced:	NSO6H19C20 (1)
Stoich.:	ABC6D19E20 (1)
Weight, g/mol:	428.197904
ΔH_f, kcal/mol:	-156.63
Dipole, Da:	4.1
IP(EA), eV:	-9.11(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminocyclopentyl)-2-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyridin-2-yl]pyridin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=NOC(=O)C)C(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)OCCO

DOS

IR

Vibrations