Geometry & MOs

Info

ID:	306001
PubChem CID:	125000047
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	23.01
Dipole, Da:	5.31
IP(EA), eV:	-9.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-ethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@@H]2CN(CCO2)C(=O)C3=CC(=NN3)C4=CN=CC=C4

DOS

IR

Vibrations