Geometry & MOs

Info

ID:	349800
PubChem CID:	127276192
Reduced:	BrO2N4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	308.159689
ΔH_f, kcal/mol:	-24.7
Dipole, Da:	4.19
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(oxane-3-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)NCC2=NC(=NN2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations