Geometry & MOs

Info

ID:	402710
PubChem CID:	135056977
Reduced:	NO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	204.172545
ΔH_f, kcal/mol:	-128.79
Dipole, Da:	4.61
IP(EA), eV:	-10.01(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(1-ethoxyethoxy)heptan-3-ol

Drug info:

PubChemData

Smile

C1COC(=O)N1C2[C@@H]3C=C[C@@H](O3)CC2=O

DOS

IR

Vibrations