Geometry & MOs

Info

ID:	32197
PubChem CID:	6435862
Reduced:	O2N3C22H45 (1)
Stoich.:	A2B3C22D45 (1)
Weight, g/mol:	374.303224
ΔH_f, kcal/mol:	-129.87
Dipole, Da:	5.15
IP(EA), eV:	-9.04(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-octadec-9-enoic acid;propane-1,2,3-triol

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(CNCCN)N

DOS

IR

Vibrations