Geometry & MOs

Info

ID:	332081
PubChem CID:	127250367
Reduced:	FO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-36.51
Dipole, Da:	6.0
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC=CC=C4F

DOS

IR

Vibrations