Geometry & MOs

Info

ID:	174746
PubChem CID:	75809108
Reduced:	N4O4H16C19 (1)
Stoich.:	A4B4C16D19 (1)
Weight, g/mol:	352.205873
ΔH_f, kcal/mol:	-89.53
Dipole, Da:	4.29
IP(EA), eV:	-9.41(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(C=N2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations