Geometry & MOs

Info

ID:	418714
PubChem CID:	135106635
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	322.204513
ΔH_f, kcal/mol:	-43.3
Dipole, Da:	3.24
IP(EA), eV:	-9.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=NC(=N1)N)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations