Geometry & MOs

Info

ID:	402094
PubChem CID:	135054326
Reduced:	N2O2H32C33 (1)
Stoich.:	A2B2C32D33 (1)
Weight, g/mol:	486.230728
ΔH_f, kcal/mol:	-8.26
Dipole, Da:	4.32
IP(EA), eV:	-7.97(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2C[C@@H](C3=CC=CC4=C3N2[C@H](CC4)C5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations