Geometry & MOs

Info

ID:	275551
PubChem CID:	103816565
Reduced:	ClION2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-10.27
Dipole, Da:	3.03
IP(EA), eV:	-9.59(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-aminopyrrolidin-1-yl]-(3-methyl-5-nitrophenyl)methanone

Drug info:

PubChemData

Smile

C1CN(C[C@H]1N)C(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations