Geometry & MOs

Info

ID:	332649
PubChem CID:	127250935
Reduced:	FO3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-53.38
Dipole, Da:	6.02
IP(EA), eV:	-9.12(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)CCOC4=CC(=CC=C4)F

DOS

IR

Vibrations