Geometry & MOs

Info

ID:	283858
PubChem CID:	104013508
Reduced:	OSN2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	270.109231
ΔH_f, kcal/mol:	31.14
Dipole, Da:	2.91
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1,2,4-triazol-3-yl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CN=C(O1)C(C)NCC2=CC=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations