Geometry & MOs

Info

ID:	195648
PubChem CID:	78715340
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	365.184073
ΔH_f, kcal/mol:	-1.63
Dipole, Da:	5.29
IP(EA), eV:	-8.72(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CCC2=CC=C(C=C2)OC)C3=NC(=O)C(=C)C(=N3)C

DOS

IR

Vibrations