Geometry & MOs

Info

ID:	376131
PubChem CID:	134222134
Reduced:	NO3H45C46 (1)
Stoich.:	AB3C45D46 (1)
Weight, g/mol:	337.024117
ΔH_f, kcal/mol:	-8.27
Dipole, Da:	3.87
IP(EA), eV:	-8.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[3-chloro-2-fluoro-5-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1(CC(CC2(C1)C3=CC=CC=C3C4=C2C5=C(C6=C4C=CC(=C6)C=O)OC(C=C5)(C7=CC=CC=C7)C8=CC=C(C=C8)N9CCOCC9)(C)C)C

DOS

IR

Vibrations