Geometry & MOs

Info

ID:	177458
PubChem CID:	76187459
Reduced:	FNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	529.261294
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	3.67
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-difluorophenyl)-1-[5-[[1-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CCCNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations