Geometry & MOs

Info

ID:	138427
PubChem CID:	52365685
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	21.96
Dipole, Da:	3.09
IP(EA), eV:	-9.26(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethyl)urea

Drug info:

PubChemData

Smile

C1CC1[C@@H](C2=CC=CC=C2)NC(=O)NCC3=CC=CS3

DOS

IR

Vibrations