Geometry & MOs

Info

ID:	170071
PubChem CID:	75192883
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	392.134068
ΔH_f, kcal/mol:	-28.68
Dipole, Da:	4.64
IP(EA), eV:	-8.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C1=CC2=C(C=C1)OCCN(C2)CC3CNNC3C4=CC=CC=C4)O

DOS

IR

Vibrations