Geometry & MOs

Info

ID:	13925
PubChem CID:	400035
Reduced:	BrON4H13C23 (1)
Stoich.:	ABC4D13E23 (1)
Weight, g/mol:	440.02727
ΔH_f, kcal/mol:	136.05
Dipole, Da:	5.54
IP(EA), eV:	-9.25(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations