Geometry & MOs

Info

ID:	31141
PubChem CID:	854746
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	339.00072
ΔH_f, kcal/mol:	-91.82
Dipole, Da:	4.2
IP(EA), eV:	-9.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-6-bromochromen-2-imine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OC(=O)C

DOS

IR

Vibrations