Geometry & MOs

Info

ID:	352494
PubChem CID:	127283582
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	330.101128
ΔH_f, kcal/mol:	-93.15
Dipole, Da:	4.02
IP(EA), eV:	-9.69(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(tetrazol-1-yl)thiophen-2-yl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations