Geometry & MOs

Info

ID:	315191
PubChem CID:	126624837
Reduced:	OF3N7C20H22 (1)
Stoich.:	AB3C7D20E22 (1)
Weight, g/mol:	388.139007
ΔH_f, kcal/mol:	-67.53
Dipole, Da:	5.14
IP(EA), eV:	-9.03(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(2S)-butan-2-yl]-6-(6-chloropyridin-2-yl)-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC(=CC1CC1)NC2=NC(=NC(=N2)C3=NC(=CC=C3)C(F)(F)F)/N=C(\C)/C(=O)N(C)C

DOS

IR

Vibrations