Geometry & MOs

Info

ID:	216151
PubChem CID:	85085801
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	81.06
Dipole, Da:	4.41
IP(EA), eV:	-9.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-2,2-dimethyl-5-phenylheptan-3-one

Drug info:

PubChemData

Smile

CC1(C2CCC1(C3C2N=C(O3)CN=[N+]=[N-])C)C

DOS

IR

Vibrations