Geometry & MOs

Info

ID:	296209
PubChem CID:	117560800
Reduced:	FN4H9C12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	47.32
Dipole, Da:	3.66
IP(EA), eV:	-9.27(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-4-(oxolan-2-ylmethylamino)-1H-pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)F)C#N

DOS

IR

Vibrations