Geometry & MOs

Info

ID:	138735
PubChem CID:	52417491
Reduced:	FN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	403.16444
ΔH_f, kcal/mol:	-116.36
Dipole, Da:	3.12
IP(EA), eV:	-8.85(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-4-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide

Drug info:

PubChemData

Smile

COC[C@@H]1CCCN(C1)CC(=O)NC2=CC=CC=C2F

DOS

IR

Vibrations