Geometry & MOs

Info

ID:	135789
PubChem CID:	51937268
Reduced:	Cl2O2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	393.166411
ΔH_f, kcal/mol:	-28.23
Dipole, Da:	2.62
IP(EA), eV:	-9.22(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)Cl)Cl)C4CC4

DOS

IR

Vibrations