Geometry & MOs

Info

ID:	146325
PubChem CID:	53670724
Reduced:	O2C49H74 (1)
Stoich.:	A2B49C74 (1)
Weight, g/mol:	196.105922
ΔH_f, kcal/mol:	-139.33
Dipole, Da:	4.54
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5S)-6-hydrazinylhexane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

CC[C@H](C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OC(=O)C=C(C)C=CC=C(C)C=CC5=C(CCCC5(C)C)C)C)C)C(C)C

DOS

IR

Vibrations