Geometry & MOs

Info

ID:	45992
PubChem CID:	10520136
Reduced:	ClO2N3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	325.155705
ΔH_f, kcal/mol:	-30.03
Dipole, Da:	5.3
IP(EA), eV:	-9.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(6-chloropyridin-3-yl)-methylamino]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)[NH2+]CC(CON=C(C2CC2)C3CC3)O.[Cl-]

DOS

IR

Vibrations