Geometry & MOs

Info

ID:	426981
PubChem CID:	135154859
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	920.80442
ΔH_f, kcal/mol:	-39.07
Dipole, Da:	5.04
IP(EA), eV:	-8.39(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxypropyl (Z)-octadec-9-enoate;(Z)-octadec-9-enoic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C)N2CCC(CC2)OC3=CC=C(C=C3)OC

DOS

IR

Vibrations