Geometry & MOs

Info

ID:	423096
PubChem CID:	135118939
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	4.26
IP(EA), eV:	-8.98(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)C(=O)C3=CN(C=N3)C

DOS

IR

Vibrations