Geometry & MOs

Info

ID:	156998
PubChem CID:	56404825
Reduced:	SN3O3C27H37 (1)
Stoich.:	AB3C3D27E37 (1)
Weight, g/mol:	460.235352
ΔH_f, kcal/mol:	-86.73
Dipole, Da:	4.49
IP(EA), eV:	-8.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CC(=C(S3)N4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations