Geometry & MOs

Info

ID:	237363
PubChem CID:	92718885
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	0.8
IP(EA), eV:	-8.88(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(2-methoxyethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations