Geometry & MOs

Info

ID:	424175
PubChem CID:	135121616
Reduced:	BrO2N6H17C24 (1)
Stoich.:	AB2C6D17E24 (1)
Weight, g/mol:	435.158292
ΔH_f, kcal/mol:	89.17
Dipole, Da:	5.06
IP(EA), eV:	-9.24(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzimidazol-1-yl]-naphthalen-2-ylmethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)N4C=NC=N4)OCC(=O)NC5=CC=C(C=C5)Br

DOS

IR

Vibrations