Geometry & MOs

Info

ID:	333588
PubChem CID:	127252140
Reduced:	F3N7C18H18 (1)
Stoich.:	A3B7C18D18 (1)
Weight, g/mol:	403.173228
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	3.49
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CC(C2)C3=NC(=NC=C3)NC4=NC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations