Geometry & MOs

Info

ID:	283142
PubChem CID:	103960210
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	-56.53
Dipole, Da:	0.59
IP(EA), eV:	-8.05(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1N2CCCC(CC2)(C)C)O

DOS

IR

Vibrations