Geometry & MOs

Info

ID:	130072
PubChem CID:	51074838
Reduced:	OF3N6C14H15 (1)
Stoich.:	AB3C6D14E15 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-65.44
Dipole, Da:	11.0
IP(EA), eV:	-9.56(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C(CNC1=NN2C(=NN=C2C(F)(F)F)C=C1)C3=CC=CO3

DOS

IR

Vibrations