Geometry & MOs

Info

ID:	159692
PubChem CID:	57288634
Reduced:	OC40H58 (1)
Stoich.:	AB40C58 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-22.44
Dipole, Da:	4.21
IP(EA), eV:	-8.49(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(methylamino)-2-(4-methylphenyl)ethyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOCC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C

DOS

IR

Vibrations