Geometry & MOs

Info

ID:	305659
PubChem CID:	124964078
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	25.37
Dipole, Da:	4.99
IP(EA), eV:	-9.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(6S)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@@H]2COCCN2C(=O)C3=CC(=NN3)C4=CN=CC=C4

DOS

IR

Vibrations