Geometry & MOs

Info

ID:	361884
PubChem CID:	127304878
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	380.199445
ΔH_f, kcal/mol:	-162.32
Dipole, Da:	3.69
IP(EA), eV:	-8.75(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCCCC3CN4CCOCC4)C

DOS

IR

Vibrations