Geometry & MOs

Info

ID:	73752
PubChem CID:	48420316
Reduced:	O4N5C14H17 (1)
Stoich.:	A4B5C14D17 (1)
Weight, g/mol:	324.133474
ΔH_f, kcal/mol:	-30.15
Dipole, Da:	7.2
IP(EA), eV:	-9.15(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl (E)-3-(1-benzyltriazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCCCC(=O)OCCN2C=NC=N2)[N+](=O)[O-]

DOS

IR

Vibrations