Geometry & MOs

Info

ID:	356732
PubChem CID:	127292213
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	395.326026
ΔH_f, kcal/mol:	-46.79
Dipole, Da:	1.4
IP(EA), eV:	-9.21(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-ethylpiperazin-1-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)NC(C2CC2)C3=CC=CS3

DOS

IR

Vibrations