Geometry & MOs

Info

ID:	376156
PubChem CID:	134222160
Reduced:	OF3N3H8C10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	401.069782
ΔH_f, kcal/mol:	-123.7
Dipole, Da:	5.28
IP(EA), eV:	-9.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[2,3-dichloro-5-[(E)-4-(4-hydroxyphenyl)but-3-en-2-yl]phenyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=O)C(F)(F)F)N=CN=CN

DOS

IR

Vibrations