Geometry & MOs

Info

ID:	345798
PubChem CID:	127270098
Reduced:	ON6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	321.137179
ΔH_f, kcal/mol:	47.04
Dipole, Da:	8.4
IP(EA), eV:	-9.29(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-imidazol-1-ylpiperidin-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCC(CC3)N4C=CN=C4)C

DOS

IR

Vibrations