Geometry & MOs

Info

ID:	305852
PubChem CID:	124971524
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-14.7
Dipole, Da:	2.83
IP(EA), eV:	-8.64(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dimethylpyrazol-4-yl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1CCC(=O)N2CCO[C@@H](C2)C3=NC=CN=C3NC)C

DOS

IR

Vibrations