Geometry & MOs

Info

ID:	393735
PubChem CID:	135021575
Reduced:	BrSiO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	217.085127
ΔH_f, kcal/mol:	-164.53
Dipole, Da:	2.36
IP(EA), eV:	-9.35(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-phenyl-4H-triazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/CC1=CC=C(C=C1)Br)/O[Si](CC)(CC)CC

DOS

IR

Vibrations