Geometry & MOs

Info

ID:	269104
PubChem CID:	103613568
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	229.161269
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	3.19
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[3-[methyl(propan-2-yl)amino]propyl]thiourea

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NC=C1)NCCC2=CSC=C2

DOS

IR

Vibrations