Geometry & MOs

Info

ID:	154444
PubChem CID:	56313884
Reduced:	FN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	410.192961
ΔH_f, kcal/mol:	-148.32
Dipole, Da:	4.11
IP(EA), eV:	-9.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)COC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations