Geometry & MOs

Info

ID:	132055
PubChem CID:	51300841
Reduced:	OF3N5H14C15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-73.48
Dipole, Da:	11.69
IP(EA), eV:	-9.22(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-4-[methyl-[(4-methylphenyl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1OC)C2=NN3C(=NN=C3C(F)(F)F)C=C2

DOS

IR

Vibrations