Geometry & MOs

Info

ID:	135790
PubChem CID:	51937269
Reduced:	O2F3N3C20H22 (1)
Stoich.:	A2B3C3D20E22 (1)
Weight, g/mol:	393.166411
ΔH_f, kcal/mol:	-173.99
Dipole, Da:	3.32
IP(EA), eV:	-9.28(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[(2S,6S)-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=CC=CC(=C3)C(F)(F)F)C4CC4

DOS

IR

Vibrations