Geometry & MOs

Info

ID:	81501
PubChem CID:	49854796
Reduced:	BrO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	388.164774
ΔH_f, kcal/mol:	32.05
Dipole, Da:	8.35
IP(EA), eV:	-8.74(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[(1-propan-2-yl-5-pyrimidin-5-ylbenzimidazol-2-yl)amino]benzamide

Drug info:

PubChemData

Smile

CN(C)CCN1C2=C(C=C(C=C2)Br)N=C1NC3=CC=C(C=C3)C(=O)NO

DOS

IR

Vibrations