Geometry & MOs

Info

ID:	161885
PubChem CID:	57392943
Reduced:	SO3N5C14H17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	11.35
Dipole, Da:	12.4
IP(EA), eV:	-9.3(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]-1,4-oxazepane

Drug info:

PubChemData

Smile

C1CNCCN(C1)CC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations