Geometry & MOs

Info

ID:	419655
PubChem CID:	135108670
Reduced:	ClN4O6H27C30 (1)
Stoich.:	AB4C6D27E30 (1)
Weight, g/mol:	359.246044
ΔH_f, kcal/mol:	-148.93
Dipole, Da:	5.21
IP(EA), eV:	-8.92(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[[3-ethoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)C5=CC6=C(N5)C=CC=C6Cl

DOS

IR

Vibrations