Geometry & MOs

Info

ID:	422126
PubChem CID:	135117256
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	309.149557
ΔH_f, kcal/mol:	-3.03
Dipole, Da:	10.05
IP(EA), eV:	-8.45(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(3-chlorophenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC=C(C=C3)CN4C=CN=C4)O

DOS

IR

Vibrations