Geometry & MOs

Info

ID:	418577
PubChem CID:	135105904
Reduced:	FO4N5C27H30 (1)
Stoich.:	AB4C5D27E30 (1)
Weight, g/mol:	305.179107
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	6.98
IP(EA), eV:	-8.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-5-methylphenyl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OCC3=CN(CCOC4=C(C=C(C=C4)F)C(=O)NC5[C@@H]6CC[C@H]5CN(C6)C2)N=N3

DOS

IR

Vibrations