Geometry & MOs

Info

ID:	241650
PubChem CID:	96023930
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	5.85
IP(EA), eV:	-8.83(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetamido-3-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations