Geometry & MOs

Info

ID:	201314
PubChem CID:	79524241
Reduced:	BrO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	299.02694
ΔH_f, kcal/mol:	34.07
Dipole, Da:	5.3
IP(EA), eV:	-9.24(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-nitropyridin-2-yl)-1-cyclopropyl-N-methylethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=C(C=C(C=N1)[N+](=O)[O-])Br)C2CC2

DOS

IR

Vibrations