Geometry & MOs

Info

ID:	138705
PubChem CID:	52413133
Reduced:	N4O4C21H33 (1)
Stoich.:	A4B4C21D33 (1)
Weight, g/mol:	404.242356
ΔH_f, kcal/mol:	-147.95
Dipole, Da:	5.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753215
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(benzylcarbamoylamino)-3-oxopropyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1CC[NH+](CC1)CCC(=O)NC(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations