Geometry & MOs

Info

ID:	140506
PubChem CID:	52711306
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	3.09
IP(EA), eV:	-8.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)N[C@@H]2CCCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations