Geometry & MOs

Info

ID:	361171
PubChem CID:	127302115
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-41.44
Dipole, Da:	6.98
IP(EA), eV:	-9.1(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)NCC3CCCCC3

DOS

IR

Vibrations