Geometry & MOs

Info

ID:	149770
PubChem CID:	53789446
Reduced:	FNC27H32 (1)
Stoich.:	ABC27D32 (1)
Weight, g/mol:	236.086245
ΔH_f, kcal/mol:	-7.18
Dipole, Da:	6.33
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloropropyl N-(diaminomethylidene)-N'-propan-2-ylcarbamimidothioate

Drug info:

PubChemData

Smile

C1CC(CCC1CCCCCCC=CF)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations