Geometry & MOs

Info

ID:	306032
PubChem CID:	125000776
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	309.099252
ΔH_f, kcal/mol:	48.76
Dipole, Da:	4.36
IP(EA), eV:	-8.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CCC(=O)N2CCCC[C@H]2C3=NC4=CC(=NN4C=C3)C

DOS

IR

Vibrations