Geometry & MOs

Info

ID:	162839
PubChem CID:	57571101
Reduced:	F2N4O4C21H26 (1)
Stoich.:	A2B4C4D21E26 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-226.63
Dipole, Da:	2.47
IP(EA), eV:	-9.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[6-(pyridin-4-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)NCCOC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations