Geometry & MOs

Info

ID:	421809
PubChem CID:	135116650
Reduced:	F3N3O3C18H20 (1)
Stoich.:	A3B3C3D18E20 (1)
Weight, g/mol:	370.157581
ΔH_f, kcal/mol:	-267.85
Dipole, Da:	6.31
IP(EA), eV:	-9.74(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)C3CCC(=O)N3

DOS

IR

Vibrations