Geometry & MOs

Info

ID:	203288
PubChem CID:	79808411
Reduced:	OSN3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	73.21
Dipole, Da:	1.82
IP(EA), eV:	-8.63(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC=C1C2=NC(=NO2)C3=CC(=CC=C3)N

DOS

IR

Vibrations