Geometry & MOs

Info

ID:	242009
PubChem CID:	96025061
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	239.142248
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	2.71
IP(EA), eV:	-8.84(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-1-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1OC[C@H]2C3=C(CCN2)C=CC(=C3C)C

DOS

IR

Vibrations