Geometry & MOs

Info

ID:	310519
PubChem CID:	126581505
Reduced:	FON5C16H20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	297.102588
ΔH_f, kcal/mol:	-42.21
Dipole, Da:	7.29
IP(EA), eV:	-8.88(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-amino-1-pyridin-4-ylethenyl]-6-fluoro-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)/C(=C/N)/C2=NC3=C(C=C(C=C3N2)F)C(=O)N

DOS

IR

Vibrations