Geometry & MOs

Info

ID:	71829
PubChem CID:	48415514
Reduced:	BrFON3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-27.53
Dipole, Da:	7.68
IP(EA), eV:	-8.6(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C=CC(=C3)F)Br

DOS

IR

Vibrations