Geometry & MOs

Info

ID:	418308
PubChem CID:	135104171
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	348.196841
ΔH_f, kcal/mol:	-19.12
Dipole, Da:	6.07
IP(EA), eV:	-8.62(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[1-(2-chlorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN(C)CCC2=NC3=C(N2)C=C(C=C3)OC

DOS

IR

Vibrations