Geometry & MOs

Info

ID:	281193
PubChem CID:	103911360
Reduced:	ClN4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	45.77
Dipole, Da:	5.96
IP(EA), eV:	-9.1(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylbenzimidazol-2-yl)ethyl]hex-5-yn-1-amine

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)Cl)NCCC2=NN(C=N2)C

DOS

IR

Vibrations