Geometry & MOs

Info

ID:	43248
PubChem CID:	10320167
Reduced:	O4C27H36 (1)
Stoich.:	A4B27C36 (1)
Weight, g/mol:	424.450498
ΔH_f, kcal/mol:	-175.95
Dipole, Da:	4.21
IP(EA), eV:	-8.66(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,8,11-tetrakis(2-methylpropyl)-1,4,8,11-tetrazacyclotetradecane

Drug info:

PubChemData

Smile

CC[C@@]12C[C@@]([C@@](C[C@H]1CCC3=C2C=CC(=C3)OCCCCO)(C4=CC=CC=C4)O)(C)O

DOS

IR

Vibrations