Geometry & MOs

Info

ID:	147772
PubChem CID:	53787430
Reduced:	SN3O6C25H29 (1)
Stoich.:	AB3C6D25E29 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-183.01
Dipole, Da:	7.11
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-(2-methyl-2-pentyl-1,3-benzodioxol-5-yl)urea

Drug info:

PubChemData

Smile

CCSC1=NOC(C1)CNC(=O)[C@H](C(CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations