Geometry & MOs

Info

ID:	162827
PubChem CID:	57571060
Reduced:	F2O4N6C23H30 (1)
Stoich.:	A2B4C6D23E30 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-206.2
Dipole, Da:	3.24
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[6-[(2-phenylpyrazol-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)NC3=CC(=C(C=C3F)NN4CCOCC4)F

DOS

IR

Vibrations