Geometry & MOs

Info

ID:	419928
PubChem CID:	135109821
Reduced:	ClO2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	431.314792
ΔH_f, kcal/mol:	-49.11
Dipole, Da:	3.97
IP(EA), eV:	-8.71(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)NCCCN2C=C(C=N2)Cl)OC

DOS

IR

Vibrations