Geometry & MOs

Info

ID:	80079
PubChem CID:	49832717
Reduced:	ClO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	411.146203
ΔH_f, kcal/mol:	6.25
Dipole, Da:	6.33
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]pyridin-3-yl]-4-[(5-chloropyridin-2-yl)methoxy]pyridin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC=C(C=C2)N3C=CC(=CC3=O)OCC4=NC=C(C=C4)Cl

DOS

IR

Vibrations