Geometry & MOs

Info

ID:	312653
PubChem CID:	126607183
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	435.279824
ΔH_f, kcal/mol:	-100.07
Dipole, Da:	4.94
IP(EA), eV:	-8.81(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(2R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-1-N'-(3-ethyl-5-fluoro-2-propylphenyl)ethene-1,1-diamine

Drug info:

PubChemData

Smile

CN1CCC(C[C@@H]1C2=NC3=C(N2)C=C(C=C3)F)NC(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations