Geometry & MOs

Info

ID:	326377
PubChem CID:	126687428
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	-91.01
Dipole, Da:	5.78
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-2-[2-(4-hydroxyphenyl)propyl]-2-azaspiro[3.3]heptan-6-ol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1CC(=O)C2=NC=C(C=C2)O)CO)CCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations