Geometry & MOs

Info

ID:	181387
PubChem CID:	76740938
Reduced:	Cl2N4O4C25H30 (1)
Stoich.:	A2B4C4D25E30 (1)
Weight, g/mol:	414.182254
ΔH_f, kcal/mol:	-148.68
Dipole, Da:	3.75
IP(EA), eV:	-8.73(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyridin-2-yl]pyridin-2-yl]-1-pyrrolidin-2-ylethanone

Drug info:

PubChemData

Smile

COC(=O)NC1CCC(C1)C(=O)CC2=CC(=C(C=N2)Cl)C3=C(C=CC(=N3)NCC4CCOCC4)Cl

DOS

IR

Vibrations