Geometry & MOs

Info

ID:	14011
PubChem CID:	401493
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	-9.82
Dipole, Da:	6.89
IP(EA), eV:	-8.8(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3-(cyclohexylideneamino)urea

Drug info:

PubChemData

Smile

C1CCC(=NNC(=O)NC2=CC=C(C=C2)Br)CC1

DOS

IR

Vibrations