Geometry & MOs

Info

ID:	397506
PubChem CID:	135030312
Reduced:	ClNC22H22 (1)
Stoich.:	ABC22D22 (1)
Weight, g/mol:	316.163436
ΔH_f, kcal/mol:	83.1
Dipole, Da:	4.46
IP(EA), eV:	-8.26(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-5-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-methoxy-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC=C(C=C1)Cl)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations