Geometry & MOs

Info

ID:	211039
PubChem CID:	80887881
Reduced:	BrSN3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	292.147016
ΔH_f, kcal/mol:	56.24
Dipole, Da:	5.11
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-ylsulfanyl-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1SC2=CC=CC=C2Br)NCC

DOS

IR

Vibrations