Geometry & MOs

Info

ID:	421609
PubChem CID:	135116297
Reduced:	F2O2N4C15H16 (1)
Stoich.:	A2B2C4D15E16 (1)
Weight, g/mol:	400.236208
ΔH_f, kcal/mol:	-116.94
Dipole, Da:	3.67
IP(EA), eV:	-9.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations