Geometry & MOs

Info

ID:	333064
PubChem CID:	127251488
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-136.06
Dipole, Da:	3.04
IP(EA), eV:	-9.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzyl-6-methylpyridin-2-yl)morpholin-4-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN3CCCC3=O)CC4=CC=CC=C4F

DOS

IR

Vibrations