Geometry & MOs

Info

ID:	32295
PubChem CID:	6436390
Reduced:	OC11H20 (2)
Stoich.:	AB11C20 (2)
Weight, g/mol:	633.335165
ΔH_f, kcal/mol:	-141.1
Dipole, Da:	1.76
IP(EA), eV:	-9.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCOC(=O)C(=C)C

DOS

IR

Vibrations