Geometry & MOs

Info

ID:	210610
PubChem CID:	80829988
Reduced:	F3N4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	353.04874
ΔH_f, kcal/mol:	-160.24
Dipole, Da:	2.48
IP(EA), eV:	-8.68(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-bromo-5-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC(=N1)N2CCC(CC2)C(F)(F)F)C

DOS

IR

Vibrations