Geometry & MOs

Info

ID:	347597
PubChem CID:	127272452
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	382.17871
ΔH_f, kcal/mol:	-61.43
Dipole, Da:	3.38
IP(EA), eV:	-8.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(methylamino)-2-oxoethyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCC(CC2)C(=O)N3CCOCC3)C4=CC=CC=N4

DOS

IR

Vibrations