Geometry & MOs

Info

ID:	332374
PubChem CID:	127250660
Reduced:	N4O4C25H26 (1)
Stoich.:	A4B4C25D26 (1)
Weight, g/mol:	448.191069
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	4.19
IP(EA), eV:	-9.27(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]pyridin-3-yl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)C2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=CC=C(C=C4)COC

DOS

IR

Vibrations