Geometry & MOs

Info

ID:	339632
PubChem CID:	127261622
Reduced:	SN4H12C15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	198.093918
ΔH_f, kcal/mol:	115.44
Dipole, Da:	2.22
IP(EA), eV:	-8.96(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino]thiourea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)/C=N/NC(=S)N

DOS

IR

Vibrations