Geometry & MOs

Info

ID:	314000
PubChem CID:	126619459
Reduced:	N3O7C45H51 (1)
Stoich.:	A3B7C45D51 (1)
Weight, g/mol:	216.20893
ΔH_f, kcal/mol:	-169.1
Dipole, Da:	1.92
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-2,6-dimethylnonane-2,3-diol

Drug info:

PubChemData

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CNC1CCCCC12C[C@H]([C@@H]3C(=O)O[C@H]([C@H](N3[C@H]([C@@H]2C=O)C4=CC=C(C=C4)OCCO)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NCC(C7=CC=CC=C7)O

DOS

IR

Vibrations