Geometry & MOs

Info

ID:	402015
PubChem CID:	135053871
Reduced:	BrNO2H18C20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	540.202463
ΔH_f, kcal/mol:	-14.69
Dipole, Da:	4.8
IP(EA), eV:	-8.36(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,4S)-8-(3-phenylprop-2-ynyl)-2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-4-yl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C(COC2)CC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C41

DOS

IR

Vibrations