Geometry & MOs

Info

ID:	406487
PubChem CID:	135077807
Reduced:	ClN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	254.118591
ΔH_f, kcal/mol:	-61.22
Dipole, Da:	6.26
IP(EA), eV:	-8.66(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-1-(2-methylpropanoylamino)-2,3-dihydro-1H-inden-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N[C@H]2[C@@H](CC3=CC=CC=C23)[NH3+].[Cl-]

DOS

IR

Vibrations