Geometry & MOs

Info

ID:	181487
PubChem CID:	76750362
Reduced:	PSN2O8C28H35 (1)
Stoich.:	ABC2D8E28F35 (1)
Weight, g/mol:	465.208865
ΔH_f, kcal/mol:	-337.11
Dipole, Da:	9.48
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-difluorophenyl)ethyl]-2-(piperidin-3-ylmethoxy)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)OP(=O)(C)CC1=CN=C(C=C1)NC(=O)C2=CC(=CC(=C2)OC(C)CCO)OC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations