Geometry & MOs

Info

ID:	145830
PubChem CID:	53599559
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	20.42
Dipole, Da:	2.42
IP(EA), eV:	-8.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-4-ylmethyl)-1-ethyl-3-(pyridin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCCC(C3)N4C=CN=C4

DOS

IR

Vibrations