Geometry & MOs

Info

ID:	322327
PubChem CID:	126669758
Reduced:	NO4H29C31 (1)
Stoich.:	AB4C29D31 (1)
Weight, g/mol:	435.219829
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	6.58
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,3-dimethyl-1-benzofuran-5-yl)naphthalen-2-yl]-N-[(3-methoxyphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)C3=CC(=CC4=CC=CC=C43)C(C)N[C@H](C)C5=CC(=CC=C5)OC)C(=O)O

DOS

IR

Vibrations