Geometry & MOs

Info

ID:	276139
PubChem CID:	103820861
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	4.47
IP(EA), eV:	-8.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(quinolin-3-ylamino)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2=CC(=C(C=C2)Cl)C#N

DOS

IR

Vibrations