Geometry & MOs

Info

ID:	269499
PubChem CID:	103617750
Reduced:	ClN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	257.091275
ΔH_f, kcal/mol:	-67.13
Dipole, Da:	3.53
IP(EA), eV:	-8.81(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyanomethoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=CC(=C1)NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations