Geometry & MOs

Info

ID:	430159
PubChem CID:	135170222
Reduced:	NC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	404.278741
ΔH_f, kcal/mol:	24.52
Dipole, Da:	1.68
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C3CCCC3=CN=C2C=C1CN4CCCC4

DOS

IR

Vibrations