Geometry & MOs

Info

ID:	30850
PubChem CID:	842006
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-47.38
Dipole, Da:	5.32
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(=O)OC

DOS

IR

Vibrations