Geometry & MOs

Info

ID:	241810
PubChem CID:	96024324
Reduced:	SN2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	253.157898
ΔH_f, kcal/mol:	25.46
Dipole, Da:	2.17
IP(EA), eV:	-8.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(5-methylpyrazin-2-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=C(N=C(S3)C)C)C=C1)C

DOS

IR

Vibrations