Geometry & MOs

Info

ID:	365570
PubChem CID:	127318057
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	379.240582
ΔH_f, kcal/mol:	-98.32
Dipole, Da:	4.15
IP(EA), eV:	-8.55(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethyl-1,3-thiazol-2-yl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NC(C)C3=C(C4=C(O3)C=CC(=C4)OC)C

DOS

IR

Vibrations