Geometry & MOs

Info

ID:	300083
PubChem CID:	119526713
Reduced:	N3O5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	353.187005
ΔH_f, kcal/mol:	-89.11
Dipole, Da:	5.41
IP(EA), eV:	-9.11(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)N

DOS

IR

Vibrations