Geometry & MOs

Info

ID:	306000
PubChem CID:	125000045
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	338.149124
ΔH_f, kcal/mol:	28.39
Dipole, Da:	5.59
IP(EA), eV:	-9.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C[C@@H]2CCCN(C2)C(=O)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations