Geometry & MOs

Info

ID:	343485
PubChem CID:	127266658
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	300.08341
ΔH_f, kcal/mol:	-24.76
Dipole, Da:	7.09
IP(EA), eV:	-9.69(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[[1-[2-(hydroxymethyl)phenyl]triazol-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CCC(C)(CC1=CN(N=N1)C2=CC=CC=C2C(=O)C)O

DOS

IR

Vibrations