Geometry & MOs

Info

ID:	270948
PubChem CID:	103638923
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	286.01393
ΔH_f, kcal/mol:	-93.98
Dipole, Da:	1.9
IP(EA), eV:	-8.19(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-methylphenyl)-3-propylthiourea

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)NC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations