Geometry & MOs

Info

ID:	356090
PubChem CID:	127291126
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	323.170588
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	1.47
IP(EA), eV:	-9.06(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-4-[2-(tetrazol-1-yl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations