Geometry & MOs

Info

ID:	247969
PubChem CID:	103077812
Reduced:	ClN5C14H18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	67.67
Dipole, Da:	6.05
IP(EA), eV:	-8.21(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCN(CC2)C3=CC(=CC=C3)Cl)N

DOS

IR

Vibrations