Geometry & MOs

Info

ID:	183230
PubChem CID:	76994796
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-37.5
Dipole, Da:	3.93
IP(EA), eV:	-8.71(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(oxan-3-ylamino)methyl]-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NC(=O)C3CCCCCC3=N2

DOS

IR

Vibrations