Geometry & MOs

Info

ID:	420770
PubChem CID:	135114786
Reduced:	ClN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	349.188923
ΔH_f, kcal/mol:	-57.85
Dipole, Da:	4.45
IP(EA), eV:	-9.58(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-3,5-dimethoxyphenyl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCC2=CC=CC=C2Cl)O)CC3=CC=NC=C3

DOS

IR

Vibrations