Geometry & MOs

Info

ID:	306002
PubChem CID:	125000057
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-22.93
Dipole, Da:	5.11
IP(EA), eV:	-8.89(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)N2CCO[C@H](C2)C3=NC(=CN3C)C

DOS

IR

Vibrations