Geometry & MOs

Info

ID:	252382
PubChem CID:	103110995
Reduced:	O3N5C13H23 (1)
Stoich.:	A3B5C13D23 (1)
Weight, g/mol:	276.140868
ΔH_f, kcal/mol:	-101.19
Dipole, Da:	3.41
IP(EA), eV:	-10.05(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)NC(C)C(C)C)CN

DOS

IR

Vibrations