Geometry & MOs

Info

ID:	202042
PubChem CID:	79621305
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-85.23
Dipole, Da:	3.14
IP(EA), eV:	-8.74(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-diaminobenzoyl)oxy-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCCNCC(C)(C)COCC1=CC(=CC=C1)OC

DOS

IR

Vibrations