Geometry & MOs

Info

ID:	312853
PubChem CID:	126609239
Reduced:	ON6C14H16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	330.160437
ΔH_f, kcal/mol:	35.16
Dipole, Da:	2.19
IP(EA), eV:	-9.03(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-fluoropropan-2-yl)-2-N-(4,5,6-trimethyl-1,3-benzoxazol-7-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1N=CO2)C)NC3=NC(=NC(=N3)N)C)C

DOS

IR

Vibrations