Geometry & MOs

Info

ID:	150609
PubChem CID:	53790302
Reduced:	NI2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	143.051718
ΔH_f, kcal/mol:	-31.98
Dipole, Da:	4.11
IP(EA), eV:	-8.72(-2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-4H-triazol-2-yl)ethanethial

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)I)NI)OC2=CC=C(C=C2)O

DOS

IR

Vibrations