Geometry & MOs

Info

ID:	30661
PubChem CID:	841634
Reduced:	NO6C16H17 (1)
Stoich.:	AB6C16D17 (1)
Weight, g/mol:	211.048072
ΔH_f, kcal/mol:	-188.43
Dipole, Da:	7.53
IP(EA), eV:	-8.55(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-nitrophenoxy)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)O3)OC

DOS

IR

Vibrations