Geometry & MOs

Info

ID:	185560
PubChem CID:	77314503
Reduced:	NO8C35H43 (1)
Stoich.:	AB8C35D43 (1)
Weight, g/mol:	291.126615
ΔH_f, kcal/mol:	-296.32
Dipole, Da:	2.99
IP(EA), eV:	-9.2(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[amino-(4-methyl-3H-1,3-thiazol-2-ylidene)methyl]-2-N-cyclopropyl-4-N-methyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)CC(C(=O)O)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations