Geometry & MOs

Info

ID:	371622
PubChem CID:	131269106
Reduced:	NSF4H5C9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	-165.0
Dipole, Da:	4.55
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-oxo-5-propan-2-yl-1H-pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)C(F)(F)F)F)N

DOS

IR

Vibrations