Geometry & MOs

Info

ID:	445303
PubChem CID:	135266004
Reduced:	SN3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	45.98
Dipole, Da:	1.17
IP(EA), eV:	-8.49(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-aminoethyl)cyclohexa-1,3-dien-5-yne-1-carboxamide

Drug info:

PubChemData

Smile

CC(CCCNC=C)C1=CSC(=N1)C(=C)NC2CCC2

DOS

IR

Vibrations