Geometry & MOs

Info

ID:	237364
PubChem CID:	92718886
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-75.08
Dipole, Da:	2.89
IP(EA), eV:	-8.68(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(2-methoxyethyl)phenyl]-3-(4-methoxyphenyl)propan-1-amine

Drug info:

PubChemData

Smile

COCCC1=CC=C(C=C1)[C@@H]([C@@H]2COC3=CC=CC=C3O2)N

DOS

IR

Vibrations