Geometry & MOs

Info

ID:	357613
PubChem CID:	127294286
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	393.23108
ΔH_f, kcal/mol:	-146.66
Dipole, Da:	5.62
IP(EA), eV:	-8.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)CN3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations