Geometry & MOs

Info

ID:	227643
PubChem CID:	87562153
Reduced:	ClOSiN5C20H28 (1)
Stoich.:	ABCD5E20F28 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	2.82
IP(EA), eV:	-8.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexyl] methanesulfonate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)[Si](C)(C)C)C3=NN=C(C=C3C)Cl

DOS

IR

Vibrations