Geometry & MOs

Info

ID:	332628
PubChem CID:	127250914
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	3.41
Dipole, Da:	4.61
IP(EA), eV:	-9.23(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethoxyphenyl)-[3-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)C(C)C

DOS

IR

Vibrations