Geometry & MOs

Info

ID:	349166
PubChem CID:	127274892
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	318.155272
ΔH_f, kcal/mol:	-2.02
Dipole, Da:	4.99
IP(EA), eV:	-9.27(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpyrazol-1-yl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCCCC2)C(=O)N3CCN(CC3)C(=O)CN4C=NN=N4

DOS

IR

Vibrations