Geometry & MOs

Info

ID:	322901
PubChem CID:	126671555
Reduced:	SN2O3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	177.090212
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	6.99
IP(EA), eV:	-9.88(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-5-methylpyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1)OC2CS(=O)(=O)C2

DOS

IR

Vibrations