Geometry & MOs

Info

ID:	303958
PubChem CID:	124491004
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	241.131408
ΔH_f, kcal/mol:	-33.65
Dipole, Da:	2.59
IP(EA), eV:	-8.82(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCO[C@H](C1CCNCC1)C2=CC=CC=C2

DOS

IR

Vibrations