Geometry & MOs

Info

ID:	309746
PubChem CID:	126556944
Reduced:	SN7H23C27 (1)
Stoich.:	AB7C23D27 (1)
Weight, g/mol:	402.06919
ΔH_f, kcal/mol:	214.84
Dipole, Da:	7.74
IP(EA), eV:	-8.52(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-methylcyclopentyl)oxyphenyl] 2-iodo-2-methylbutanoate

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CSC=C7)/NN4

DOS

IR

Vibrations