Geometry & MOs

Info

ID:	190889
PubChem CID:	78071937
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	7.55
Dipole, Da:	1.69
IP(EA), eV:	-8.98(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methylquinoxalin-2-yl)ethyl]-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1C(=O)N(C(=NN=C(C)COC2=CC=CC=C2)S1)C3=CC=CC=C3

DOS

IR

Vibrations