Geometry & MOs

Info

ID:	151218
PubChem CID:	53790918
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	268.170139
ΔH_f, kcal/mol:	-124.92
Dipole, Da:	10.89
IP(EA), eV:	-9.63(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-phenyl-2-(1-phenylpyrrolidin-1-ium-1-yl)ethanol

Drug info:

PubChemData

Smile

CCCN(CC)C(=O)C1=CN=C2C(=C1)C=CC3=C2NC=C(C3=O)C(=O)O

DOS

IR

Vibrations