Geometry & MOs

Info

ID:	397678
PubChem CID:	135030567
Reduced:	N2O3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	138.115698
ΔH_f, kcal/mol:	-74.17
Dipole, Da:	2.84
IP(EA), eV:	-7.89(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-methyl-2H-imidazol-1-ium-2-ide

Drug info:

PubChemData

Smile

CC1C2=CC=CC=C2C3=C(CC4=CC(=C(C=C4N3C)OC)OC)C(=O)N1C(C)(C)C

DOS

IR

Vibrations