Geometry & MOs

Info

ID:	299940
PubChem CID:	118017416
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	519.164887
ΔH_f, kcal/mol:	-148.77
Dipole, Da:	1.14
IP(EA), eV:	-8.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]butanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C2=C(CCC(=O)N1)C3=CC(=C(C=C3N2)OC)OC)CC(C)C

DOS

IR

Vibrations