Geometry & MOs

Info

ID:	401919
PubChem CID:	135053384
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-16.7
Dipole, Da:	4.37
IP(EA), eV:	-8.85(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-([1,3]dioxolo[4,5-g]cinnolin-4-yl)-N',N'-dimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)C2=NC=C(C=C2C)OC

DOS

IR

Vibrations