Geometry & MOs

Info

ID:	306400
PubChem CID:	125011590
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-30.55
Dipole, Da:	5.94
IP(EA), eV:	-8.57(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1CN3CC[C@H](C3)C4=C(C=NN4)C5=CC(=NC=C5)N)OCCCO2

DOS

IR

Vibrations