Geometry & MOs

Info

ID:	443295
PubChem CID:	135258447
Reduced:	F3N6C16H21 (1)
Stoich.:	A3B6C16D21 (1)
Weight, g/mol:	404.158387
ΔH_f, kcal/mol:	-109.79
Dipole, Da:	5.84
IP(EA), eV:	-8.53(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-(fluoromethyl)oxolan-2-ol

Drug info:

PubChemData

Smile

CC1CC[C@@H](C1)N2C=C(C(=N2)C)NC3=NC=C(C(=N3)NC)C(F)(F)F

DOS

IR

Vibrations