Geometry & MOs

Info

ID:	397795
PubChem CID:	135030739
Reduced:	BrO6C39H44 (1)
Stoich.:	AB6C39D44 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	-128.1
Dipole, Da:	4.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755526
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(2-prop-1-en-2-ylphenyl)urea

Drug info:

PubChemData

Smile

C1CC([O+](C1)[C@H]2C(C([C@@H](C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)CBr

DOS

IR

Vibrations