Geometry & MOs

Info

ID:	335891
PubChem CID:	127254753
Reduced:	F3N3O3H18C20 (1)
Stoich.:	A3B3C3D18E20 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-223.88
Dipole, Da:	8.48
IP(EA), eV:	-8.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations