Geometry & MOs

Info

ID:	427734
PubChem CID:	135161787
Reduced:	O2N5C17H31 (1)
Stoich.:	A2B5C17D31 (1)
Weight, g/mol:	401.248998
ΔH_f, kcal/mol:	-73.58
Dipole, Da:	2.04
IP(EA), eV:	-8.82(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(C1)CC(C2)N3CCC(CC3)N=C(C)NN

DOS

IR

Vibrations