Geometry & MOs

Info

ID:	354336
PubChem CID:	127286462
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	365.224932
ΔH_f, kcal/mol:	-69.76
Dipole, Da:	5.03
IP(EA), eV:	-9.07(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)C(=O)NC(C3CC3)C4=CC=CS4

DOS

IR

Vibrations