Geometry & MOs

Info

ID:	272960
PubChem CID:	103769046
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-21.86
Dipole, Da:	2.85
IP(EA), eV:	-8.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NCC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations