Geometry & MOs

Info

ID:	164477
PubChem CID:	74404416
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	174.125594
ΔH_f, kcal/mol:	-125.98
Dipole, Da:	3.44
IP(EA), eV:	-8.74(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-propyloxan-4-ol

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC=CC=C1N=CC2=CC=CC=C2NC(=O)OC(C)(C)C

DOS

IR

Vibrations