Geometry & MOs

Info

ID:	266430
PubChem CID:	103566150
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-81.68
Dipole, Da:	1.62
IP(EA), eV:	-8.98(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methoxyphenyl]methanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CN)OCCCOC2=CC=CC=C2

DOS

IR

Vibrations