Geometry & MOs

Info

ID:	393023
PubChem CID:	135018990
Reduced:	NH15C20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	407.173273
ΔH_f, kcal/mol:	78.39
Dipole, Da:	2.32
IP(EA), eV:	-8.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,3R,4R)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C3=C1C=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations