Geometry & MOs

Info

ID:	360672
PubChem CID:	127301317
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	341.196408
ΔH_f, kcal/mol:	-9.69
Dipole, Da:	3.75
IP(EA), eV:	-8.9(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC1N2CCC(CC2)NC(=O)CN3CCC(CC3)N4C=CN=C4

DOS

IR

Vibrations