Geometry & MOs

Info

ID:	354244
PubChem CID:	127286208
Reduced:	ClN3O3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-119.37
Dipole, Da:	2.56
IP(EA), eV:	-8.82(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3=C(C=CC(=C3)Cl)OCC4CCCO4

DOS

IR

Vibrations