Geometry & MOs

Info

ID:	354547
PubChem CID:	127287161
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	379.240582
ΔH_f, kcal/mol:	-118.47
Dipole, Da:	7.06
IP(EA), eV:	-8.79(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)NCC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations