Geometry & MOs

Info

ID:	200627
PubChem CID:	79416989
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	4.27
Dipole, Da:	3.88
IP(EA), eV:	-8.84(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-6-methoxy-3-propan-2-ylhexan-2-one

Drug info:

PubChemData

Smile

CC(C)C(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations