Geometry & MOs

Info

ID:	13922
PubChem CID:	400030
Reduced:	BrO2N4H15C23 (1)
Stoich.:	AB2C4D15E23 (1)
Weight, g/mol:	458.03784
ΔH_f, kcal/mol:	61.45
Dipole, Da:	5.75
IP(EA), eV:	-9.37(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=NC5=CC=C(C=C5)C(=O)N

DOS

IR

Vibrations