Geometry & MOs

Info

ID:	378967
PubChem CID:	134228598
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	387.131837
ΔH_f, kcal/mol:	3.55
Dipole, Da:	8.62
IP(EA), eV:	-8.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(4-amino-5-fluoropyrimidin-2-yl)amino]-2-(trifluoromethyl)phenoxy]piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=C3C(=C(N=C(C3=O)C(=C)C)C)N2

DOS

IR

Vibrations