Geometry & MOs

Info

ID:	147818
PubChem CID:	53787476
Reduced:	ClNO2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	326.070116
ΔH_f, kcal/mol:	-32.31
Dipole, Da:	4.52
IP(EA), eV:	-9.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,6-dichlorophenyl)methoxy]-2,2-dimethyl-1-(1,2,4-triazol-1-yl)propan-1-imine

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)C(C)(C#N)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations