Geometry & MOs

Info

ID:	351188
PubChem CID:	127279746
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	0.91
Dipole, Da:	5.48
IP(EA), eV:	-9.21(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(2-methylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC=C2C(=O)NC3=CN=C(N=C3)C

DOS

IR

Vibrations