Geometry & MOs

Info

ID:	184585
PubChem CID:	77179754
Reduced:	F2O4N5C23H23 (1)
Stoich.:	A2B4C5D23E23 (1)
Weight, g/mol:	415.233188
ΔH_f, kcal/mol:	-100.88
Dipole, Da:	5.85
IP(EA), eV:	-8.74(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-(3-aminopyrrolidin-1-yl)pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

COC(CN(C=C)C1=C(C(=C(C=C1)C2=CN=C(C=C2)N3CCNC3=O)F)F)COC4=NOC=C4

DOS

IR

Vibrations