Geometry & MOs

Info

ID:	362886
PubChem CID:	127309715
Reduced:	ClN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	2.13
IP(EA), eV:	-9.07(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C1NC(=O)N[C@H]2[C@H](CC3=CC=CC=C23)O)C4=CC=CC=C4Cl

DOS

IR

Vibrations