Geometry & MOs

Info

ID:	282116
PubChem CID:	103916255
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-98.63
Dipole, Da:	6.77
IP(EA), eV:	-9.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-methyl-3-(3-pyrrolidin-1-ylpropoxy)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)OC(C)(C)C)OCC2=CC(=NC=C2)C#N

DOS

IR

Vibrations