Geometry & MOs

Info

ID:	171734
PubChem CID:	75419247
Reduced:	N2O3H16C19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	317.00514
ΔH_f, kcal/mol:	-47.1
Dipole, Da:	3.73
IP(EA), eV:	-9.75(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-3-ynyl 7-bromo-2-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C(=O)O)C(=O)C2=CC3=C(C=C2)N=CC=C3

DOS

IR

Vibrations