Geometry & MOs

Info

ID:	175919
PubChem CID:	75968321
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	339.04048
ΔH_f, kcal/mol:	61.31
Dipole, Da:	6.0
IP(EA), eV:	-8.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(3-bromophenyl)-cyclohexylmethylidene]amino]thiourea

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2CC3=CC=CC=N3)OC4=CC=CC(=C4)C(=O)N

DOS

IR

Vibrations