Geometry & MOs

Info

ID:	430303
PubChem CID:	135170367
Reduced:	ON3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-7.36
Dipole, Da:	3.49
IP(EA), eV:	-7.86(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-hydroxy-3,5,5-trimethylhept-3-en-2-one

Drug info:

PubChemData

Smile

CC1(CC2=C(C1)C(=NC3=C2C=C(C(=C3)CN4CCCC4)OC)NCC5CC5)C

DOS

IR

Vibrations