Geometry & MOs

Info

ID:	430060
PubChem CID:	135170117
Reduced:	ClO2N5C26H30 (1)
Stoich.:	AB2C5D26E30 (1)
Weight, g/mol:	405.299142
ΔH_f, kcal/mol:	-24.8
Dipole, Da:	2.68
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-ethoxyoxiran-2-yl)-2-[4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-azaspiro[3.4]octane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)C1=CC=CC(=C1)NC2=NC(=NC3=C2CN(CC3)CC4=CC=CC=C4)Cl

DOS

IR

Vibrations