Geometry & MOs

Info

ID:	171931
PubChem CID:	75443341
Reduced:	ON4C8H10 (2)
Stoich.:	AB4C8D10 (2)
Weight, g/mol:	381.219846
ΔH_f, kcal/mol:	54.92
Dipole, Da:	2.77
IP(EA), eV:	-10.07(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C1=NC(=NO1)C2=NC=NN2)NC(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations