Geometry & MOs

Info

ID:	379429
PubChem CID:	134419412
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	282.157957
ΔH_f, kcal/mol:	-129.5
Dipole, Da:	3.36
IP(EA), eV:	-9.49(1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2,4-dihydroxy-6-[1-(1H-imidazol-5-yl)-2,2-dimethylpropyl]-4-methyloxan-3-one

Drug info:

PubChemData

Smile

CC1(CNC2(O1)CCCCC2CO)C

DOS

IR

Vibrations