Geometry & MOs

Info

ID:	396622
PubChem CID:	135028900
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	377.103
ΔH_f, kcal/mol:	-70.48
Dipole, Da:	6.76
IP(EA), eV:	-9.93(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-chloro-3-hydroxy-2-(4-nitrophenyl)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1(C(O1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations