Geometry & MOs

Info

ID:	433809
PubChem CID:	135173951
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-49.94
Dipole, Da:	2.2
IP(EA), eV:	-8.54(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(3-ethoxypropoxy)prop-1-ynyl]phenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=CC(=C2)O[C@H](C)CNC

DOS

IR

Vibrations