Geometry & MOs

Info

ID:	146556
PubChem CID:	53704595
Reduced:	N3O6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-178.77
Dipole, Da:	5.23
IP(EA), eV:	-9.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[4-(4-nitrophenyl)butan-2-ylamino]-1-phenylethanol

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)N1C(=O)N(CC(=O)O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations