Geometry & MOs

Info

ID:	13931
PubChem CID:	400193
Reduced:	F3N3O4C35H54 (1)
Stoich.:	A3B3C4D35E54 (1)
Weight, g/mol:	637.406642
ΔH_f, kcal/mol:	-343.93
Dipole, Da:	5.83
IP(EA), eV:	-8.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-octadecyl-3-(5-phenylmethoxypyridin-2-yl)propanamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC(=O)C(CC1=NC=C(C=C1)OCC2=CC=CC=C2)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations