Geometry & MOs

Info

ID:	241965
PubChem CID:	96024832
Reduced:	NC17H23 (1)
Stoich.:	AB17C23 (1)
Weight, g/mol:	239.142248
ΔH_f, kcal/mol:	3.49
Dipole, Da:	1.92
IP(EA), eV:	-8.66(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7,8-dimethyl-1-pyridazin-4-yl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)[C@H]3CCC=CC3

DOS

IR

Vibrations