Geometry & MOs

Info

ID:	402092
PubChem CID:	135054318
Reduced:	FO3C27H27 (1)
Stoich.:	AB3C27D27 (1)
Weight, g/mol:	506.176106
ΔH_f, kcal/mol:	-122.0
Dipole, Da:	2.13
IP(EA), eV:	-9.29(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(=O)C(CCOC(=O)C1=CC=CC=C1)(C2=CC=C(C=C2)C3=CC=CC=C3)F

DOS

IR

Vibrations