Geometry & MOs

Info

ID:	411201
PubChem CID:	135084014
Reduced:	NO2C11H19 (2)
Stoich.:	AB2C11D19 (2)
Weight, g/mol:	624.335193
ΔH_f, kcal/mol:	-198.96
Dipole, Da:	0.81
IP(EA), eV:	-9.84(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-6-[[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-4-methylphenol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/N=N/C(=O)OC2C[C@H](CC[C@@H]2C(C)C)C)C(C)C

DOS

IR

Vibrations