Geometry & MOs

Info

ID:	333068
PubChem CID:	127251492
Reduced:	FO2N5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	3.96
IP(EA), eV:	-9.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCN3C(=NC(=N3)C)C)CC4=CC(=CC=C4)F

DOS

IR

Vibrations