Geometry & MOs

Info

ID:	361299
PubChem CID:	127302494
Reduced:	ClFN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	312.173231
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	6.0
IP(EA), eV:	-9.04(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NC3=C(C=CC(=C3)Cl)F)O

DOS

IR

Vibrations