Geometry & MOs

Info

ID:	428644
PubChem CID:	135167841
Reduced:	BrIO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	347.04807
ΔH_f, kcal/mol:	-41.61
Dipole, Da:	4.14
IP(EA), eV:	-9.09(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]ethyl 2-bromo-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1(C=CC=C(C=C1)C(C(=O)OC)Br)I

DOS

IR

Vibrations