Geometry & MOs

Info

ID:	172419
PubChem CID:	75508069
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	302.039295
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	1.36
IP(EA), eV:	-8.88(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1)NC(=O)N2CCCC2CN3CCOCC3)C

DOS

IR

Vibrations