Geometry & MOs

Info

ID:	331130
PubChem CID:	127248537
Reduced:	F3N3O3C20H24 (1)
Stoich.:	A3B3C3D20E24 (1)
Weight, g/mol:	439.208276
ΔH_f, kcal/mol:	-233.76
Dipole, Da:	1.93
IP(EA), eV:	-9.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCOC(C1)C2=NN(C(=C2)CCOC3=CC=CC(=C3)C(F)(F)F)C

DOS

IR

Vibrations