Geometry & MOs

Info

ID:	241811
PubChem CID:	96024328
Reduced:	N3C16H19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	253.157898
ΔH_f, kcal/mol:	43.26
Dipole, Da:	1.59
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-1-(5-methylpyrazin-2-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations