Geometry & MOs

Info

ID:	176891
PubChem CID:	76108104
Reduced:	NSO7C9H17 (1)
Stoich.:	ABC7D9E17 (1)
Weight, g/mol:	464.169585
ΔH_f, kcal/mol:	-296.87
Dipole, Da:	3.21
IP(EA), eV:	-9.59(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6,7-dimethoxy-4-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(1,2,4-triazol-1-ylmethyl)-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C(C(C(C(C(=O)C(=O)C(C(CS)N)O)O)O)O)O

DOS

IR

Vibrations