Geometry & MOs

Info

ID:	240240
PubChem CID:	93576706
Reduced:	BrON3C27H28 (1)
Stoich.:	ABC3D27E28 (1)
Weight, g/mol:	489.14158
ΔH_f, kcal/mol:	24.75
Dipole, Da:	3.49
IP(EA), eV:	-9.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)CC(C)C)C2=NC3=CC=CC=C3N2CC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations