Geometry & MOs

Info

ID:	56640
PubChem CID:	17487286
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-151.04
Dipole, Da:	4.9
IP(EA), eV:	-7.99(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)CN2CCSC2=O)OCC

DOS

IR

Vibrations