Geometry & MOs

Info

ID:	448279
PubChem CID:	135289847
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	304.01218
ΔH_f, kcal/mol:	-49.0
Dipole, Da:	5.66
IP(EA), eV:	-8.46(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methoxyethoxy)-2-methylpropan-2-yl] 2-bromo-2,2-difluoroacetate

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](CNC(=O)[C@H]2CCN(CC23CC3)C4=NC=NC5=C4C=CN5)O

DOS

IR

Vibrations