Geometry & MOs

Info

ID:	355566
PubChem CID:	127289324
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	350.163729
ΔH_f, kcal/mol:	34.1
Dipole, Da:	7.78
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CCC1=NOC2=C1C=C(C=N2)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations