Geometry & MOs

Info

ID:	361049
PubChem CID:	127301939
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	391.229348
ΔH_f, kcal/mol:	-91.7
Dipole, Da:	5.39
IP(EA), eV:	-9.16(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC(=O)N1CCCCCC1)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations