Geometry & MOs

Info

ID:	275679
PubChem CID:	103817042
Reduced:	BrClOF3N3H6C12 (1)
Stoich.:	ABCD3E3F6G12 (1)
Weight, g/mol:	307.03202
ΔH_f, kcal/mol:	-126.43
Dipole, Da:	6.84
IP(EA), eV:	-9.54(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]-N,1-dimethylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=CN=C(C=N2)Cl)C(F)(F)F)Br

DOS

IR

Vibrations