Geometry & MOs

Info

ID:	420557
PubChem CID:	135113874
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-58.12
Dipole, Da:	2.56
IP(EA), eV:	-8.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]pyridin-4-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CCN1)NC(=O)C2=C(ON=C2N3CCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations