Geometry & MOs

Info

ID:	351187
PubChem CID:	127279745
Reduced:	O2N4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	-55.98
Dipole, Da:	6.59
IP(EA), eV:	-9.48(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-(2-methylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)NC(=O)C2CCC(=O)NC2

DOS

IR

Vibrations