Geometry & MOs

Info

ID:	417185
PubChem CID:	135091587
Reduced:	ON7C18H25 (1)
Stoich.:	AB7C18D25 (1)
Weight, g/mol:	415.319878
ΔH_f, kcal/mol:	16.34
Dipole, Da:	2.31
IP(EA), eV:	-8.39(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC(=NC=C2)N3CCC(CC3)C4=NC(=NC=C4)N)O

DOS

IR

Vibrations