Geometry & MOs

Info

ID:	332689
PubChem CID:	127250975
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-11.56
Dipole, Da:	4.89
IP(EA), eV:	-8.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CN2CCOC(C2)C3=NC=NC=C3C4=NOC(=N4)C)C)C)OC

DOS

IR

Vibrations