Geometry & MOs

Info

ID:	443294
PubChem CID:	135258446
Reduced:	ClF5N6H14C15 (1)
Stoich.:	AB5C6D14E15 (1)
Weight, g/mol:	354.177979
ΔH_f, kcal/mol:	-165.04
Dipole, Da:	4.24
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-2-N-[3-methyl-1-[(1S)-3-methylcyclopentyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=NC(=NC=C1C(F)(F)F)NC2=C(N(N=C2)C3CC4C(C3)C4(F)F)Cl

DOS

IR

Vibrations