Geometry & MOs

Info

ID:	322805
PubChem CID:	126671208
Reduced:	ClN7O10C58H68 (1)
Stoich.:	AB7C10D58E68 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-292.16
Dipole, Da:	6.68
IP(EA), eV:	-8.66(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C2=CC=C(C=C2)CNC(=O)C3CCCN3C(=O)C(C(C)(C)C)NC(=O)COCCCOCCCOC4=CC=C(C=C4)C(C)OC(=O)CC5C6=NN=C(N6C7=C(C(=C(O7)C)C)C(=N5)C8=CC=C(C=C8)Cl)C

DOS

IR

Vibrations