Geometry & MOs

Info

ID:	340809
PubChem CID:	127263244
Reduced:	NO2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	272.105833
ΔH_f, kcal/mol:	-136.76
Dipole, Da:	5.81
IP(EA), eV:	-8.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(aminomethyl)pyrrolidine-1-carboxylate;dihydrochloride

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21

DOS

IR

Vibrations