Geometry & MOs

Info

ID:	419715
PubChem CID:	135108816
Reduced:	N5O6C34H49 (1)
Stoich.:	A5B6C34D49 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-196.78
Dipole, Da:	9.32
IP(EA), eV:	-8.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(C)C

DOS

IR

Vibrations