Geometry & MOs

Info

ID:	196984
PubChem CID:	78905565
Reduced:	O3N6C13H16 (1)
Stoich.:	A3B6C13D16 (1)
Weight, g/mol:	366.155272
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	6.64
IP(EA), eV:	-9.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations