Geometry & MOs

Info

ID:	320227
PubChem CID:	126658806
Reduced:	N3O4H15C18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	467.188129
ΔH_f, kcal/mol:	-39.91
Dipole, Da:	5.38
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)C3OC4=C(O3)C=C(C=C4)C5=NC=NN5)OC1

DOS

IR

Vibrations