Geometry & MOs

Info

ID:	305851
PubChem CID:	124971523
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	0.67
IP(EA), eV:	-9.28(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C[C@@H]1C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations