Geometry & MOs

Info

ID:	158922
PubChem CID:	57244211
Reduced:	OC13H22 (2)
Stoich.:	AB13C22 (2)
Weight, g/mol:	302.078183
ΔH_f, kcal/mol:	-140.15
Dipole, Da:	2.78
IP(EA), eV:	-8.18(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol

Drug info:

PubChemData

Smile

CCCCCCCC1CCCCC1CCCOC2=CC=C(C=C2)OCCCC

DOS

IR

Vibrations