Geometry & MOs

Info

ID:	122562
PubChem CID:	50812545
Reduced:	SN2O4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-85.21
Dipole, Da:	10.17
IP(EA), eV:	-8.6(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]cyclohexyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

DOS

IR

Vibrations