Geometry & MOs

Info

ID:	331779
PubChem CID:	127250063
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	406.180504
ΔH_f, kcal/mol:	-4.3
Dipole, Da:	3.62
IP(EA), eV:	-8.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=NC(=CC=C2)C3CN(CCO3)C(=O)C4=CC(=NC=C4)NC

DOS

IR

Vibrations