Geometry & MOs

Info

ID:	241660
PubChem CID:	96023948
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-28.19
Dipole, Da:	5.66
IP(EA), eV:	-9.0(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=NC=CN=C3C(=O)O)C=C1)C

DOS

IR

Vibrations