Geometry & MOs

Info

ID:	265770
PubChem CID:	103545112
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	299.088161
ΔH_f, kcal/mol:	-39.49
Dipole, Da:	6.25
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-[4-methyl-3-(trifluoromethyl)phenyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(C)N2C=NC(=C2N)C(=O)OC

DOS

IR

Vibrations