Geometry & MOs

Info

ID:	210522
PubChem CID:	80818827
Reduced:	S2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	302.106214
ΔH_f, kcal/mol:	49.89
Dipole, Da:	4.23
IP(EA), eV:	-8.61(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)SC)N(C)CC2=C(N=CS2)C

DOS

IR

Vibrations