Geometry & MOs

Info

ID:	331941
PubChem CID:	127250227
Reduced:	FO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	409.191403
ΔH_f, kcal/mol:	-108.83
Dipole, Da:	2.57
IP(EA), eV:	-9.42(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[2-[5-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1CC(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations