Geometry & MOs

Info

ID:	132486
PubChem CID:	51368793
Reduced:	ClFN3O3H21C22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	437.21147
ΔH_f, kcal/mol:	-133.51
Dipole, Da:	1.21
IP(EA), eV:	-9.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC(=O)CN2C(=NC(=C(C2=O)CCO)C)C3=CC=C(C=C3)F

DOS

IR

Vibrations