Geometry & MOs

Info

ID:	131416
PubChem CID:	51201731
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	50.85
Dipole, Da:	3.46
IP(EA), eV:	-9.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylphenoxy)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N(C)C(C)C2=CC=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations