Geometry & MOs

Info

ID:	393711
PubChem CID:	135021545
Reduced:	O2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	398.289306
ΔH_f, kcal/mol:	-26.06
Dipole, Da:	2.66
IP(EA), eV:	-9.58(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2R,6R)-2-[2-[bis(dimethylamino)methylideneamino]ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@]1(CCOC(O1)C2=CC=CC=C2)CCC#C

DOS

IR

Vibrations