Geometry & MOs

Info

ID:	73735
PubChem CID:	48420142
Reduced:	O4N5C18H19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	348.12224
ΔH_f, kcal/mol:	-62.31
Dipole, Da:	4.06
IP(EA), eV:	-9.96(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 4-[(2-cyanophenyl)methoxy]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)OCCN3C=NC=N3)C

DOS

IR

Vibrations