Geometry & MOs

Info

ID:	332979
PubChem CID:	127251403
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	1.19
IP(EA), eV:	-9.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-methyl-4-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CCOC(C2)C3=NC(=CC(=C3)C4=CN=C(C=C4)C(=O)NC)C)C

DOS

IR

Vibrations