Geometry & MOs

Info

ID:	418483
PubChem CID:	135105134
Reduced:	NO2C23H25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-28.23
Dipole, Da:	2.43
IP(EA), eV:	-8.87(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-ethoxyethoxy)phenyl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)CC4=CC5=CC=CC=C5O4

DOS

IR

Vibrations