Geometry & MOs

Info

ID:	417152
PubChem CID:	135091461
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	313.10002
ΔH_f, kcal/mol:	-2.39
Dipole, Da:	3.21
IP(EA), eV:	-8.57(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C3=NC=C(C(=N3)N(C)C)C

DOS

IR

Vibrations