Geometry & MOs

Info

ID:	139227
PubChem CID:	52494633
Reduced:	Cl2O2N3C19H19 (1)
Stoich.:	A2B2C3D19E19 (1)
Weight, g/mol:	339.218487
ΔH_f, kcal/mol:	-72.06
Dipole, Da:	7.47
IP(EA), eV:	-8.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-ethylphenyl)-3-[(2-piperidin-1-ylpyridin-1-ium-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N2CCC[C@H]2C(=O)NC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations