Geometry & MOs

Info

ID:	17151
PubChem CID:	486287
Reduced:	ON4H15C16 (2)
Stoich.:	AB4C15D16 (2)
Weight, g/mol:	558.249172
ΔH_f, kcal/mol:	49.86
Dipole, Da:	4.24
IP(EA), eV:	-8.58(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino]butyl]urea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)NCCCCNC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5

DOS

IR

Vibrations