Geometry & MOs

Info

ID:	241774
PubChem CID:	96024222
Reduced:	N2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-4.69
Dipole, Da:	0.91
IP(EA), eV:	-8.56(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)[C@@H]3CCCN3

DOS

IR

Vibrations