Geometry & MOs

Info

ID:	54002
PubChem CID:	14719331
Reduced:	NO3C24H41 (1)
Stoich.:	AB3C24D41 (1)
Weight, g/mol:	400.391646
ΔH_f, kcal/mol:	-181.29
Dipole, Da:	8.17
IP(EA), eV:	-9.78(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-octadecoxypropoxy)butan-1-ol

Drug info:

PubChemData

Smile

CC(C)CCCCC(=O)NC1CC2CC(C1C/C=C/CCCC(=O)O)C2(C)C

DOS

IR

Vibrations