Geometry & MOs

Info

ID:	146801
PubChem CID:	53752854
Reduced:	SN3O6C15H15 (1)
Stoich.:	AB3C6D15E15 (1)
Weight, g/mol:	200.058578
ΔH_f, kcal/mol:	-174.56
Dipole, Da:	5.21
IP(EA), eV:	-9.68(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-4-oxoquinoline-1-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=C(N2[C@H](C(C2=O)NC(=O)CC#N)SC1)C(=O)O

DOS

IR

Vibrations