Geometry & MOs

Info

ID:	264026
PubChem CID:	103418633
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	250.125218
ΔH_f, kcal/mol:	-112.23
Dipole, Da:	3.96
IP(EA), eV:	-8.13(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C(=C(S1)N2CCC(CC2)O)OC)N

DOS

IR

Vibrations