Geometry & MOs

Info

ID:	137751
PubChem CID:	52257312
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	312.119796
ΔH_f, kcal/mol:	-45.6
Dipole, Da:	4.57
IP(EA), eV:	-9.06(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N[C@@H](C)C2=NN=CN2C

DOS

IR

Vibrations