Geometry & MOs

Info

ID:	375937
PubChem CID:	134221933
Reduced:	NCl2F3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	470.09328
ΔH_f, kcal/mol:	-142.97
Dipole, Da:	3.48
IP(EA), eV:	-9.44(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[5-[(E)-4-[4-(aminomethyl)-3-fluorophenyl]-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-2-fluorophenyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Cl)C(/C=C/C2=CC(=C(C=C2)CN)Cl)C(F)(F)F

DOS

IR

Vibrations