Geometry & MOs

Info

ID:	349507
PubChem CID:	127275394
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	390.158643
ΔH_f, kcal/mol:	-67.33
Dipole, Da:	4.89
IP(EA), eV:	-8.93(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4-[2-(tetrazol-1-yl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC1CCCN(C1)C(=O)N2CCCC2

DOS

IR

Vibrations