Geometry & MOs

Info

ID:	332523
PubChem CID:	127250809
Reduced:	F3N4O4C20H23 (1)
Stoich.:	A3B4C4D20E23 (1)
Weight, g/mol:	440.16714
ΔH_f, kcal/mol:	-275.55
Dipole, Da:	3.67
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=NNC(=C2)CCOC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations