Geometry & MOs

Info

ID:	445409
PubChem CID:	135266908
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	360.109248
ΔH_f, kcal/mol:	-31.78
Dipole, Da:	10.65
IP(EA), eV:	-8.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-diazenyl-6-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfanyl]-4-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=C(C(=O)N2N1CCCC2)N=C3C=C(C(=O)C=C3N)OC

DOS

IR

Vibrations