Geometry & MOs

Info

ID:	352467
PubChem CID:	127283555
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	322.132428
ΔH_f, kcal/mol:	-168.07
Dipole, Da:	9.72
IP(EA), eV:	-8.66(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)sulfanyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)C2=CC3=C(CCCC3=O)NC2=O

DOS

IR

Vibrations