Geometry & MOs

Info

ID:	243246
PubChem CID:	99217788
Reduced:	F2N2O4H20C23 (1)
Stoich.:	A2B2C4D20E23 (1)
Weight, g/mol:	445.175004
ΔH_f, kcal/mol:	-177.08
Dipole, Da:	3.05
IP(EA), eV:	-9.35(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyethylamino)-N-[3-(1-methylbenzimidazol-2-yl)phenyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=N2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations