Geometry & MOs

Info

ID:	30764
PubChem CID:	841813
Reduced:	NC3H3 (6)
Stoich.:	AB3C3 (6)
Weight, g/mol:	279.023311
ΔH_f, kcal/mol:	140.93
Dipole, Da:	3.72
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea

Drug info:

PubChemData

Smile

CC1=NN(C=C1[C@@H]2[C@H]3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)C

DOS

IR

Vibrations