Geometry & MOs

Info

ID:	174727
PubChem CID:	75807083
Reduced:	NCl2O2F3C13H14 (1)
Stoich.:	AB2C2D3E13F14 (1)
Weight, g/mol:	414.2869
ΔH_f, kcal/mol:	-256.0
Dipole, Da:	4.61
IP(EA), eV:	-9.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(3-methylpiperidin-1-ium-1-yl)butyl]urea

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations