Geometry & MOs

Info

ID:	172353
PubChem CID:	75497205
Reduced:	BrN3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	300.140868
ΔH_f, kcal/mol:	54.02
Dipole, Da:	3.68
IP(EA), eV:	-9.36(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine

Drug info:

PubChemData

Smile

C1CC2=C(C1NCCN3C=CN=C3)C=CC=C2Br

DOS

IR

Vibrations