Geometry & MOs

Info

ID:	402318
PubChem CID:	135055493
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	600.14124
ΔH_f, kcal/mol:	-27.98
Dipole, Da:	4.55
IP(EA), eV:	-8.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,4S)-2-(4-bromophenyl)-8-(3-naphthalen-2-ylprop-2-ynyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate

Drug info:

PubChemData

Smile

CCC[C@]12CCC(=O)N1CCC3=C2NC4=CC=CC=C34

DOS

IR

Vibrations