Geometry & MOs

Info

ID:	335516
PubChem CID:	127254378
Reduced:	OSN8C13H16 (1)
Stoich.:	ABC8D13E16 (1)
Weight, g/mol:	266.185509
ΔH_f, kcal/mol:	112.49
Dipole, Da:	6.39
IP(EA), eV:	-9.56(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=NNC(=N1)C2=CC=CS2)N3C=NN=N3

DOS

IR

Vibrations