Geometry & MOs

Info

ID:	420992
PubChem CID:	135115174
Reduced:	ClN3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-108.02
Dipole, Da:	0.94
IP(EA), eV:	-9.69(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-morpholin-4-yl-N-(quinoxalin-2-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCN(CC1)C2=NOC(=C2C(=O)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations