Geometry & MOs

Info

ID:	153296
PubChem CID:	56312475
Reduced:	F3N4O4C21H21 (1)
Stoich.:	A3B4C4D21E21 (1)
Weight, g/mol:	445.172559
ΔH_f, kcal/mol:	-257.77
Dipole, Da:	3.39
IP(EA), eV:	-9.21(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CNC2=O)C(=O)NCC(C3=CC=C(C=C3)C(F)(F)F)N4CCOCC4

DOS

IR

Vibrations