Geometry & MOs

Info

ID:	345819
PubChem CID:	127270119
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-151.5
Dipole, Da:	3.57
IP(EA), eV:	-9.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3CCOC3

DOS

IR

Vibrations