Geometry & MOs

Info

ID:	328796
PubChem CID:	126727870
Reduced:	NOC20H23 (1)
Stoich.:	ABC20D23 (1)
Weight, g/mol:	277.104897
ΔH_f, kcal/mol:	12.71
Dipole, Da:	1.49
IP(EA), eV:	-8.24(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]sulfanylmethyl]-3H-benzimidazol-5-amine

Drug info:

PubChemData

Smile

CC=NC1=C(C=C(C(=C1)C)OC)C(=C)CC2=CC=CC(=C2)C

DOS

IR

Vibrations