Geometry & MOs

Info

ID:	46668
PubChem CID:	10526125
Reduced:	NO3C26H45 (1)
Stoich.:	AB3C26D45 (1)
Weight, g/mol:	419.362411
ΔH_f, kcal/mol:	-196.97
Dipole, Da:	3.99
IP(EA), eV:	-9.11(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[4-[2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethyl]phenoxy]ethanamine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)NC(=O)C

DOS

IR

Vibrations