Geometry & MOs

Info

ID:	80876
PubChem CID:	49846706
Reduced:	N5O6C28H47 (1)
Stoich.:	A5B6C28D47 (1)
Weight, g/mol:	459.357326
ΔH_f, kcal/mol:	-262.32
Dipole, Da:	5.63
IP(EA), eV:	-8.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[cyclohexyl(3-morpholin-4-ylpropyl)amino]heptyl]-3-pyridin-4-ylurea

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCCCCCCNC(=O)NC2=CC=NC=C2)CCCN3CCOCC3.C(=O)(C(=O)O)O

DOS

IR

Vibrations