Geometry & MOs

Info

ID:	394818
PubChem CID:	135023861
Reduced:	NO3C26H29 (1)
Stoich.:	AB3C26D29 (1)
Weight, g/mol:	371.224915
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	2.62
IP(EA), eV:	-8.38(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-benzylpyrrolidin-2-yl]-bis(3-methylphenyl)methanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C([C@@H]2CCCN2CC3=CC=CC=C3)(C4=CC=C(C=C4)OC)O

DOS

IR

Vibrations