Geometry & MOs

Info

ID:	153411
PubChem CID:	56312604
Reduced:	F3N3O4C24H30 (1)
Stoich.:	A3B3C4D24E30 (1)
Weight, g/mol:	444.17731
ΔH_f, kcal/mol:	-323.99
Dipole, Da:	4.69
IP(EA), eV:	-9.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations