Geometry & MOs

Info

ID:	56592
PubChem CID:	17487142
Reduced:	SO3N4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	310.092912
ΔH_f, kcal/mol:	-52.56
Dipole, Da:	10.51
IP(EA), eV:	-9.0(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-4-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations