Geometry & MOs

Info

ID:	211568
PubChem CID:	81044481
Reduced:	SN3O3C14H25 (1)
Stoich.:	AB3C3D14E25 (1)
Weight, g/mol:	300.241293
ΔH_f, kcal/mol:	-112.95
Dipole, Da:	3.92
IP(EA), eV:	-8.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1=NC=CC(=C1)S(=O)(=O)N(C)CCOC(C)C

DOS

IR

Vibrations