Geometry & MOs

Info

ID:	146337
PubChem CID:	53671789
Reduced:	ClON2C24H31 (1)
Stoich.:	ABC2D24E31 (1)
Weight, g/mol:	298.273262
ΔH_f, kcal/mol:	-12.19
Dipole, Da:	4.18
IP(EA), eV:	-8.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-heptyl-3-(N'-heptylcarbamimidoyl)urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CNC2C(CCC3N2CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations