Geometry & MOs

Info

ID:	310004
PubChem CID:	126572634
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	287.142248
ΔH_f, kcal/mol:	51.39
Dipole, Da:	3.53
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-1-(2-methylindazol-3-yl)isoquinoline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C3CCC(C3=CC=C2)O)C)C4=NN(N=N4)C

DOS

IR

Vibrations