Geometry & MOs

Info

ID:	272961
PubChem CID:	103769047
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	313.144471
ΔH_f, kcal/mol:	-122.52
Dipole, Da:	1.8
IP(EA), eV:	-8.77(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NCC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations