Geometry & MOs

Info

ID:	171366
PubChem CID:	75367565
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	384.140925
ΔH_f, kcal/mol:	0.02
Dipole, Da:	1.05
IP(EA), eV:	-8.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylpyrazol-3-yl)-[(6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-1,4-oxazepan-4-yl]methanone

Drug info:

PubChemData

Smile

C1[C@@H](OCC2=NC=C(N21)C3=CC=CC=C3)CNC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations