Geometry & MOs

Info

ID:	379224
PubChem CID:	134356845
Reduced:	N5O9C55H59 (1)
Stoich.:	A5B9C55D59 (1)
Weight, g/mol:	251.131014
ΔH_f, kcal/mol:	-222.49
Dipole, Da:	6.45
IP(EA), eV:	-8.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-(3-methyldibenzofuran-4-yl)ethenamine

Drug info:

PubChemData

Smile

CC(C)(CCOC(C)(C)CCC(=O)OC)N(C)C1=CC(=CC(=C1)COC2=C(C=C3C(=C2)N=C[C@@H]4CC5=CC=CC=C5N4C3=O)OC)COC6=C(C=C7C(=C6)N=C[C@@H]8CC9=CC=CC=C9N8C7=O)OC

DOS

IR

Vibrations