Geometry & MOs

Info

ID:	167136
PubChem CID:	74785686
Reduced:	N3O4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	378.207605
ΔH_f, kcal/mol:	-155.5
Dipole, Da:	11.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769114
Charge, e:	1

Chem-info

IUPAC name:

4-[5-[(4-methylpiperidin-1-ium-1-yl)methyl]tetrazol-1-yl]-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCC(C)(C)CO

DOS

IR

Vibrations