Geometry & MOs

Info

ID:	337202
PubChem CID:	127256767
Reduced:	NO3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-150.33
Dipole, Da:	1.02
IP(EA), eV:	-9.14(1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxypyrrolidin-3-yl) 3-(4-methoxyphenyl)-2-methylpropanoate

Drug info:

PubChemData

Smile

C[C@H](CN1C[C@H]([C@@H](C1)O)O)CO

DOS

IR

Vibrations