Geometry & MOs

Info

ID:	211842
PubChem CID:	81054395
Reduced:	NC3H5 (5)
Stoich.:	AB3C5 (5)
Weight, g/mol:	290.156518
ΔH_f, kcal/mol:	23.33
Dipole, Da:	3.71
IP(EA), eV:	-8.6(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclopropylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=N)N)N2CCN(CC2)C(C)C

DOS

IR

Vibrations