Geometry & MOs

Info

ID:	401955
PubChem CID:	135053570
Reduced:	N4O5H20C24 (1)
Stoich.:	A4B5C20D24 (1)
Weight, g/mol:	340.206325
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	6.16
IP(EA), eV:	-8.78(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(C3(C4=CC=CC=C4NC3=O)C(=C2N)C#N)C(=O)OC)C(=O)OC

DOS

IR

Vibrations