Geometry & MOs

Info

ID:	339640
PubChem CID:	127261630
Reduced:	SN4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	235.114319
ΔH_f, kcal/mol:	86.04
Dipole, Da:	3.44
IP(EA), eV:	-8.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-(4-methylphenyl)butylideneamino]thiourea

Drug info:

PubChemData

Smile

C/C(=N\NC(=S)NC1=CC=CC=C1)/C2=CC=CC=C2N

DOS

IR

Vibrations