Geometry & MOs

Info

ID:	265066
PubChem CID:	103509126
Reduced:	OSN5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	-7.59
Dipole, Da:	7.04
IP(EA), eV:	-8.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-cyclopropyl-5-(4-propan-2-ylpiperazin-1-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=C(C(=C(S2)C(=O)N)N)C#N

DOS

IR

Vibrations