Geometry & MOs

Info

ID:	44085
PubChem CID:	10500670
Reduced:	N3H25C27 (1)
Stoich.:	A3B25C27 (1)
Weight, g/mol:	391.18173
ΔH_f, kcal/mol:	111.01
Dipole, Da:	1.87
IP(EA), eV:	-8.95(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(diethylamino)ethoxy]phenyl]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)NC3=N[C@H]([C@@H](N3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations