Geometry & MOs

Info

ID:	341810
PubChem CID:	127264503
Reduced:	ClN4H5C7 (1)
Stoich.:	AB4C5D7 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	65.22
Dipole, Da:	1.23
IP(EA), eV:	-8.98(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 6-hydroxy-5,5-dimethylhexanoate

Drug info:

PubChemData

Smile

C1=CN=C(C2=NC(=CN=C21)Cl)N

DOS

IR

Vibrations