Geometry & MOs

Info

ID:	442345
PubChem CID:	135251463
Reduced:	NOH3C4 (5)
Stoich.:	ABC3D4 (5)
Weight, g/mol:	188.143538
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	9.91
IP(EA), eV:	-9.06(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-((113C)methylamino)-6-oxohexyl]acetamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCON1C(=O)C2=C3C(=CC=C4C3=C(C=C2)N=C5N4NC=N5)C1=O

DOS

IR

Vibrations