Geometry & MOs

Info

ID:	430063
PubChem CID:	135170120
Reduced:	O2N3C24H33 (1)
Stoich.:	A2B3C24D33 (1)
Weight, g/mol:	418.294391
ΔH_f, kcal/mol:	-31.22
Dipole, Da:	1.7
IP(EA), eV:	-7.83(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(C1)C(=NC3=CC(=C(C=C23)OC)ON4CCCC4)NCC5CCC5)C

DOS

IR

Vibrations