Geometry & MOs

Info

ID:	241661
PubChem CID:	96023949
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-31.62
Dipole, Da:	4.8
IP(EA), eV:	-8.88(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=NC=CN=C3C(=O)O

DOS

IR

Vibrations