Geometry & MOs

Info

ID:	282115
PubChem CID:	103916253
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-156.93
Dipole, Da:	3.08
IP(EA), eV:	-9.09(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-cyanopyridin-4-yl)methoxy]-3-methylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)COC2(CCN(C2)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations