Geometry & MOs

Info

ID:	275741
PubChem CID:	103817353
Reduced:	ClN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	283.072369
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	5.82
IP(EA), eV:	-9.86(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-5-nitropyridin-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1CCCCCN1C(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations