Geometry & MOs

Info

ID:	147224
PubChem CID:	53786878
Reduced:	NOC10H16 (2)
Stoich.:	ABC10D16 (2)
Weight, g/mol:	399.382478
ΔH_f, kcal/mol:	-98.58
Dipole, Da:	2.22
IP(EA), eV:	-9.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-hydroxyethylamino)ethyl]-1-octadecylurea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCC(CCCCN)CC=CC1=CN=CC=C1

DOS

IR

Vibrations