Geometry & MOs

Info

ID:	421089
PubChem CID:	135115368
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-110.46
Dipole, Da:	3.15
IP(EA), eV:	-9.9(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)C2=CC=C(O2)CO)CC3=CC=NC=C3

DOS

IR

Vibrations