Geometry & MOs

Info

ID:	30565
PubChem CID:	841513
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	257.098669
ΔH_f, kcal/mol:	-127.93
Dipole, Da:	0.95
IP(EA), eV:	-9.08(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-(3-methylpyridin-2-yl)thiourea

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@@H](CN1C(=O)C2CCCC2)C)C(=O)C3CCCC3

DOS

IR

Vibrations