Geometry & MOs

Info

ID:	28509
PubChem CID:	828014
Reduced:	N3C19H21 (1)
Stoich.:	A3B19C21 (1)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	37.32
Dipole, Da:	3.12
IP(EA), eV:	-8.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=CC(=NC3=C(C=CC(=C23)N)C)C

DOS

IR

Vibrations