Geometry & MOs

Info

ID:	423953
PubChem CID:	135120846
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-9.06
Dipole, Da:	2.28
IP(EA), eV:	-8.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,6-dimethylpyridin-3-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34)CC5=CC=CO5

DOS

IR

Vibrations