Geometry & MOs

Info

ID:	72276
PubChem CID:	48415996
Reduced:	FON5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	376.169939
ΔH_f, kcal/mol:	-2.5
Dipole, Da:	2.72
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-7-fluoro-N,2-dimethylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CC(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations