Geometry & MOs

Info

ID:	361470
PubChem CID:	127303570
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	336.190989
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	2.24
IP(EA), eV:	-8.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-2-yl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations