Geometry & MOs

Info

ID:	421361
PubChem CID:	135115863
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	311.14522
ΔH_f, kcal/mol:	-66.89
Dipole, Da:	3.88
IP(EA), eV:	-9.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[(3-chloro-4-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O)CC4=CC=NC=C4

DOS

IR

Vibrations