Geometry & MOs

Info

ID:	233330
PubChem CID:	89650052
Reduced:	NO2H7C10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	337.152537
ΔH_f, kcal/mol:	71.45
Dipole, Da:	3.35
IP(EA), eV:	-9.52(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=O)OC2=CN=C2

DOS

IR

Vibrations