Geometry & MOs

Info

ID:	313766
PubChem CID:	126617487
Reduced:	ClO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	7.0
IP(EA), eV:	-9.75(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-ethyl-2-methoxybutanoate

Drug info:

PubChemData

Smile

CCCCCCOC1=NC=C(C=C1)C2=NC(=O)N=C(N2)C3=C(C=CC(=C3)CNC(=O)C(C)(C)OC)Cl

DOS

IR

Vibrations