Geometry & MOs

Info

ID:	402019
PubChem CID:	135053881
Reduced:	NO3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	584.08662
ΔH_f, kcal/mol:	-177.15
Dipole, Da:	3.18
IP(EA), eV:	-9.04(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,4S)-2-(4-bromophenyl)-6-chloro-8-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCC(NC(=O)OC(C)(C)C)O/C=C\C

DOS

IR

Vibrations