Geometry & MOs

Info

ID:	370662
PubChem CID:	127339821
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	349.16848
ΔH_f, kcal/mol:	29.38
Dipole, Da:	5.64
IP(EA), eV:	-9.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CSC(=N3)C4=C(C=C(C=C4)C)C

DOS

IR

Vibrations