Geometry & MOs

Info

ID:	356914
PubChem CID:	127292522
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-31.33
Dipole, Da:	1.36
IP(EA), eV:	-8.33(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)N2CCNC(=O)C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations