Geometry & MOs

Info

ID:	241904
PubChem CID:	96024550
Reduced:	N2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	28.17
Dipole, Da:	3.92
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(5-methyl-4-oxidopyrazin-4-ium-2-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)[C@H]2C3=C(CCN2)C=C(C(=C3)C)C

DOS

IR

Vibrations