Geometry & MOs

Info

ID:	315195
PubChem CID:	126624873
Reduced:	F6N6C15H16 (1)
Stoich.:	A6B6C15D16 (1)
Weight, g/mol:	429.163726
ΔH_f, kcal/mol:	-258.38
Dipole, Da:	2.24
IP(EA), eV:	-9.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-(propan-2-ylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-yl]amino]pyridin-2-yl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations