Geometry & MOs

Info

ID:	435771
PubChem CID:	135192372
Reduced:	ClO2F3N8H28C30 (1)
Stoich.:	AB2C3D8E28F30 (1)
Weight, g/mol:	295.063616
ΔH_f, kcal/mol:	-108.47
Dipole, Da:	7.64
IP(EA), eV:	-8.46(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-[amino-[(Z)-2-aminoethenyl]amino]-3-chloro-2-fluorophenyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC=CC(=C2)C3=C(C=NC=C3)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N(/C=C(/C(F)(F)F)\N)N

DOS

IR

Vibrations