Geometry & MOs

Info

ID:	379040
PubChem CID:	134352133
Reduced:	O3I4H12C21 (1)
Stoich.:	A3B4C12D21 (1)
Weight, g/mol:	506.362077
ΔH_f, kcal/mol:	18.21
Dipole, Da:	5.9
IP(EA), eV:	-9.4(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(4R)-6-(azacycloundec-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1I)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)I)O)I)I

DOS

IR

Vibrations