Geometry & MOs

Info

ID:	147418
PubChem CID:	53787074
Reduced:	N2F3O4H11C12 (1)
Stoich.:	A2B3C4D11E12 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	-238.1
Dipole, Da:	1.9
IP(EA), eV:	-10.22(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-benzyl-5-methylimidazol-4-ylidene)methylamino]carbamic acid

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]([C@H]1[N+](=O)[O-])C2=CC(=CC=C2)OC(F)(F)F

DOS

IR

Vibrations