Geometry & MOs

Info

ID:	265771
PubChem CID:	103545113
Reduced:	O2F3N3H12C13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	310.046882
ΔH_f, kcal/mol:	-190.57
Dipole, Da:	5.73
IP(EA), eV:	-9.13(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-(2-chloro-5-nitrophenyl)-2-methylimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NC(=C2N)C(=O)OC)C(F)(F)F

DOS

IR

Vibrations