Geometry & MOs

Info

ID:	144319
PubChem CID:	53350131
Reduced:	NO4C25H27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	610.101682
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	2.14
IP(EA), eV:	-8.65(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iron(2+);1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC[C@H](C)/C=C(\C)/C=C/C=C/C=C/C(=O)C1=C(NC=C(C1=O)C2=CC=C(C=C2)O)O

DOS

IR

Vibrations