Geometry & MOs

Info

ID:	48100
PubChem CID:	10537156
Reduced:	NPO5C7H16 (1)
Stoich.:	ABC5D7E16 (1)
Weight, g/mol:	225.063722
ΔH_f, kcal/mol:	-291.28
Dipole, Da:	4.8
IP(EA), eV:	-10.14(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-nitrophenyl)ethoxy]acetic acid

Drug info:

PubChemData

Smile

COC(=O)CCC[C@@H](N)P(=O)(O)OC

DOS

IR

Vibrations