Geometry & MOs

Info

ID:	415887
PubChem CID:	135088889
Reduced:	O4N5C18H31 (1)
Stoich.:	A4B5C18D31 (1)
Weight, g/mol:	354.149204
ΔH_f, kcal/mol:	-152.7
Dipole, Da:	2.67
IP(EA), eV:	-9.53(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)CN2CCC3(CC2)[C@H]([C@](CCO3)(C)NC(=O)COC)O

DOS

IR

Vibrations