Geometry & MOs

Info

ID:	38774
PubChem CID:	8137907
Reduced:	O4N5C20H29 (1)
Stoich.:	A4B5C20D29 (1)
Weight, g/mol:	263.101839
ΔH_f, kcal/mol:	-117.76
Dipole, Da:	2.49
IP(EA), eV:	-8.92(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-diamino-1,3,5-triazin-2-yl)methyl 2,5-dimethylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCCCCC1=NC(=NO1)C2=CC=C(C=C2)OC)NC(=O)N

DOS

IR

Vibrations