Geometry & MOs

Info

ID:	20600
PubChem CID:	584781
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	3.31
Dipole, Da:	7.37
IP(EA), eV:	-8.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2N

DOS

IR

Vibrations