Geometry & MOs

Info

ID:	362379
PubChem CID:	127307485
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	4.5
IP(EA), eV:	-9.02(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1C(=O)CN3C(=O)C4CC=CCC4C3=O)SC=C2

DOS

IR

Vibrations