Geometry & MOs

Info

ID:	195410
PubChem CID:	78682940
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	235.181038
ΔH_f, kcal/mol:	-175.66
Dipole, Da:	1.94
IP(EA), eV:	-8.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-amino-1-oxopropan-2-yl)-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)NC(C)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations