Geometry & MOs

Info

ID:	155628
PubChem CID:	56366425
Reduced:	BrO2N6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	454.0138
ΔH_f, kcal/mol:	21.83
Dipole, Da:	6.34
IP(EA), eV:	-9.98(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-5-nitro-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations