Geometry & MOs

Info

ID:	277344
PubChem CID:	103827983
Reduced:	BrSN2O3C12H19 (1)
Stoich.:	ABC2D3E12F19 (1)
Weight, g/mol:	241.240565
ΔH_f, kcal/mol:	-104.7
Dipole, Da:	2.9
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethylcyclohexyl)amino]-3-ethylpentan-2-ol

Drug info:

PubChemData

Smile

CCNS(=O)(=O)CCNCC1=C(C=CC(=C1)OC)Br

DOS

IR

Vibrations