Geometry & MOs

Info

ID:	241652
PubChem CID:	96023935
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-144.64
Dipole, Da:	2.3
IP(EA), eV:	-8.88(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)[C@H](CC(=O)O)NC(=O)C

DOS

IR

Vibrations