Geometry & MOs

Info

ID:	10200
PubChem CID:	98819
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-124.96
Dipole, Da:	6.16
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-3-(hydroxymethyl)benzimidazol-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CO)CCCC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations