Geometry & MOs

Info

ID:	369336
PubChem CID:	127332354
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-81.0
Dipole, Da:	4.75
IP(EA), eV:	-9.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-4-ylmethyl)-3-(2-cycloheptyloxyethyl)urea

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CNC(=O)NCCOC2CCCCCC2

DOS

IR

Vibrations