Geometry & MOs

Info

ID:	138177
PubChem CID:	52324176
Reduced:	ClO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	192.138839
ΔH_f, kcal/mol:	31.62
Dipole, Da:	2.9
IP(EA), eV:	-9.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(3S)-3-phenylpyrrolidin-1-ium-3-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=NO1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations