Geometry & MOs

Info

ID:	177622
PubChem CID:	76204369
Reduced:	BrNSO3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	255.11201
ΔH_f, kcal/mol:	-85.7
Dipole, Da:	2.31
IP(EA), eV:	-9.53(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C=CC1=CC=C(S1)Br

DOS

IR

Vibrations