Geometry & MOs

Info

ID:	323834
PubChem CID:	126676284
Reduced:	N7H17C20 (1)
Stoich.:	A7B17C20 (1)
Weight, g/mol:	309.209264
ΔH_f, kcal/mol:	174.78
Dipole, Da:	5.67
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-benzyl-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations