Geometry & MOs

Info

ID:	46495
PubChem CID:	10524721
Reduced:	N5O6H13C18 (1)
Stoich.:	A5B6C13D18 (1)
Weight, g/mol:	395.164361
ΔH_f, kcal/mol:	14.05
Dipole, Da:	5.15
IP(EA), eV:	-10.38(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=N1)C2=C(N=CC=C2)[N+](=O)[O-])C3=C(N=CC=C3)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations