Geometry & MOs

Info

ID:	83987
PubChem CID:	49863087
Reduced:	ON4C25H40 (1)
Stoich.:	AB4C25D40 (1)
Weight, g/mol:	401.304228
ΔH_f, kcal/mol:	-50.45
Dipole, Da:	5.41
IP(EA), eV:	-9.12(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CCN(CCN2C3CCC2CC3)C(=O)NCCCC4=CC=NC=C4

DOS

IR

Vibrations