Geometry & MOs

Info

ID:	430192
PubChem CID:	135170255
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	444.234825
ΔH_f, kcal/mol:	-37.05
Dipole, Da:	2.01
IP(EA), eV:	-8.1(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC1=NC2=CC(=C(C=C2C3=C1CCC3)O)ON4CCCC4

DOS

IR

Vibrations