Geometry & MOs

Info

ID:	185511
PubChem CID:	77308837
Reduced:	BrN4O4C17H25 (1)
Stoich.:	AB4C4D17E25 (1)
Weight, g/mol:	257.083413
ΔH_f, kcal/mol:	-157.81
Dipole, Da:	4.0
IP(EA), eV:	-9.52(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(C(C1)(C)C)OC2=NC=C(C=N2)Br)NC(=O)O

DOS

IR

Vibrations