Geometry & MOs

Info

ID:	182370
PubChem CID:	76881760
Reduced:	N3O4H9C13 (1)
Stoich.:	A3B4C9D13 (1)
Weight, g/mol:	312.02219
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	4.07
IP(EA), eV:	-10.24(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(6-bromo-2-oxo-1,6-dihydrobenzimidazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N=C2C=CC(=CC2=O)C(=O)O

DOS

IR

Vibrations