Geometry & MOs

Info

ID:	298774
PubChem CID:	117656456
Reduced:	OH24C36 (1)
Stoich.:	AB24C36 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	118.14
Dipole, Da:	1.23
IP(EA), eV:	-8.87(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3C4=CC=CC=C4C5=CC=CC6=C5OC7=CC=CC=C67

DOS

IR

Vibrations