Geometry & MOs

Info

ID:	333730
PubChem CID:	127252282
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	426.187875
ΔH_f, kcal/mol:	26.08
Dipole, Da:	3.18
IP(EA), eV:	-9.47(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=NC=C2)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations