Geometry & MOs

Info

ID:	315193
PubChem CID:	126624869
Reduced:	ClF3N6C16H20 (1)
Stoich.:	AB3C6D16E20 (1)
Weight, g/mol:	322.190595
ΔH_f, kcal/mol:	-113.05
Dipole, Da:	2.95
IP(EA), eV:	-9.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-cyclopropylethyl]-4-[(E)-1-cyclopropylethylideneamino]-6-pyridin-2-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC[C@@H](C)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)N[C@@H](CC)C(F)(F)F

DOS

IR

Vibrations