Geometry & MOs

Info

ID:	312263
PubChem CID:	126603955
Reduced:	O3C23H36 (1)
Stoich.:	A3B23C36 (1)
Weight, g/mol:	259.178358
ΔH_f, kcal/mol:	-186.3
Dipole, Da:	2.77
IP(EA), eV:	-8.29(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4,4-dimethyl-3-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)C(C)C)C)OC(=O)C)C

DOS

IR

Vibrations