Geometry & MOs

Info

ID:	351470
PubChem CID:	127280358
Reduced:	O3N4C19H32 (1)
Stoich.:	A3B4C19D32 (1)
Weight, g/mol:	367.179044
ΔH_f, kcal/mol:	-148.62
Dipole, Da:	8.44
IP(EA), eV:	-9.17(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)sulfanyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC1C(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations