Geometry & MOs

Info

ID:	402187
PubChem CID:	135054818
Reduced:	N2H16C23 (1)
Stoich.:	A2B16C23 (1)
Weight, g/mol:	497.210327
ΔH_f, kcal/mol:	176.14
Dipole, Da:	4.33
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCC2=CC=CC=C2N=CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations