Geometry & MOs

Info

ID:	261810
PubChem CID:	103252427
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-75.76
Dipole, Da:	5.66
IP(EA), eV:	-9.35(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)CC(C)NCC1=CSC(=N1)C(=O)O

DOS

IR

Vibrations