Geometry & MOs

Info

ID:	423211
PubChem CID:	135119123
Reduced:	F3O5N6C28H31 (1)
Stoich.:	A3B5C6D28E31 (1)
Weight, g/mol:	313.10002
ΔH_f, kcal/mol:	-212.15
Dipole, Da:	8.15
IP(EA), eV:	-8.85(-2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[(2,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C4=CN=C(C=C4)C(F)(F)F

DOS

IR

Vibrations