Geometry & MOs

Info

ID:	181663
PubChem CID:	76772952
Reduced:	FN4O6C37H43 (1)
Stoich.:	AB4C6D37E43 (1)
Weight, g/mol:	424.262697
ΔH_f, kcal/mol:	-252.26
Dipole, Da:	5.76
IP(EA), eV:	-8.93(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-6-[4-[2-(2-pyrrolidin-2-yl-3H-pyrrol-4-yl)ethyl]phenyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C2=NC3=C(C2)C=CC(=C3)C4=CN=C(O4)C5=CC(=C(C=C5)CC(=O)C6CCCN6C(=O)OC(C)(C)C)F

DOS

IR

Vibrations