Geometry & MOs

Info

ID:	232171
PubChem CID:	87575640
Reduced:	O10C51H100 (1)
Stoich.:	A10B51C100 (1)
Weight, g/mol:	391.05498
ΔH_f, kcal/mol:	-642.82
Dipole, Da:	4.83
IP(EA), eV:	-10.14(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromopyridin-3-yl)methyl 2,2-dimethylpropanoate;2,2-dimethylpropanoyl chloride

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OC[C@@H](COC(CO)OCCOCCOCCO)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C

DOS

IR

Vibrations