Geometry & MOs

Info

ID:	161886
PubChem CID:	57392947
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	9.87
Dipole, Da:	3.31
IP(EA), eV:	-8.05(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,8-dimethyl-6-propan-2-yloxy-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1=C2C(=C3C=C(C=CC3=NC2=NN1)OC)CN4CCCOCC4

DOS

IR

Vibrations