Geometry & MOs

Info

ID:	356116
PubChem CID:	127291152
Reduced:	O3N4C15H26 (1)
Stoich.:	A3B4C15D26 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	3.3
IP(EA), eV:	-9.16(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)CC(=O)NC3CC3

DOS

IR

Vibrations