Geometry & MOs

Info

ID:	372025
PubChem CID:	131287485
Reduced:	SO2H10C12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	218.116761
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	2.45
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2-cyclopropyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanenitrile

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CSC=C2C=O

DOS

IR

Vibrations