Geometry & MOs

Info

ID:	83995
PubChem CID:	49863109
Reduced:	ClFN2O2C15H16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	391.283492
ΔH_f, kcal/mol:	-86.22
Dipole, Da:	3.11
IP(EA), eV:	-9.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclohexylethyl)-1-[2-(2-methoxyethoxy)ethyl]-3-(3-pyridin-4-ylpropyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NCC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations