Geometry & MOs

Info

ID:	320128
PubChem CID:	126658416
Reduced:	ClOF3N6C18H18 (1)
Stoich.:	ABC3D6E18F18 (1)
Weight, g/mol:	410.131423
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	2.53
IP(EA), eV:	-8.56(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(6-hydrazinyl-5-methylpyridazin-3-yl)oxy-4-(trifluoromethyl)phenyl]-6-methoxy-3,4-dihydro-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN2C1=NNC2Cl)OC3=C(C=CC(=C3)C(F)(F)F)C4=C(NCNC4)C

DOS

IR

Vibrations