Geometry & MOs

Info

ID:	241947
PubChem CID:	96024745
Reduced:	N2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	273.103275
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	2.18
IP(EA), eV:	-8.6(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@@H]3C[C@@H]4CCCC[C@@H]4N3

DOS

IR

Vibrations