Geometry & MOs

Info

ID:	290311
PubChem CID:	104426984
Reduced:	BrON4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	296.144868
ΔH_f, kcal/mol:	-20.84
Dipole, Da:	4.99
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-tert-butylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CCN1C2=C(C=C(C=C2)Br)N=C1N

DOS

IR

Vibrations