Geometry & MOs

Info

ID:	134218
PubChem CID:	51663493
Reduced:	NO3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	115.123523
ΔH_f, kcal/mol:	-85.56
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.043157
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-1-ethylpyrrolidin-3-yl]azanium

Drug info:

PubChemData

Smile

CCCN1[C@@H]([C@H](C2=CC=CC=C2C1=O)C(=O)[O-])C(C)C

DOS

IR

Vibrations