Geometry & MOs

Info

ID:	331946
PubChem CID:	127250232
Reduced:	FO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	406.180504
ΔH_f, kcal/mol:	-41.44
Dipole, Da:	5.89
IP(EA), eV:	-8.92(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(4-fluorophenyl)methyl]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)CC4=CC=CC=C4F

DOS

IR

Vibrations