Geometry & MOs

Info

ID:	199192
PubChem CID:	79212950
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	-32.63
Dipole, Da:	3.1
IP(EA), eV:	-8.58(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminopyridin-4-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCC1CN)C(=O)C2CSC3=CC=CC=C23

DOS

IR

Vibrations