Geometry & MOs

Info

ID:	208222
PubChem CID:	80504539
Reduced:	O2N3C12H23 (1)
Stoich.:	A2B3C12D23 (1)
Weight, g/mol:	241.099731
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	2.49
IP(EA), eV:	-8.81(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(thiadiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)C(=O)CC2CCCO2

DOS

IR

Vibrations