Geometry & MOs

Info

ID:	419363
PubChem CID:	135108039
Reduced:	N5O6C31H35 (1)
Stoich.:	A5B6C31D35 (1)
Weight, g/mol:	345.106248
ΔH_f, kcal/mol:	-160.33
Dipole, Da:	0.91
IP(EA), eV:	-9.09(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[(2,4-dichloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)CCC5=NNC6=C5CCCC6

DOS

IR

Vibrations