Geometry & MOs

Info

ID:	393438
PubChem CID:	135020597
Reduced:	SN5C26H35 (1)
Stoich.:	AB5C26D35 (1)
Weight, g/mol:	196.100048
ΔH_f, kcal/mol:	50.45
Dipole, Da:	8.97
IP(EA), eV:	-8.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-(4-methylphenyl)ethynyl]imidazole

Drug info:

PubChemData

Smile

C=CC1CN2CCC1CC2[C@H](C3=CC=NC4=CC=CC=C34)NC(=S)N[C@@H]5CCCC[C@H]5N

DOS

IR

Vibrations