Geometry & MOs

Info

ID:	193850
PubChem CID:	78447864
Reduced:	O4N7C27H35 (1)
Stoich.:	A4B7C27D35 (1)
Weight, g/mol:	347.233468
ΔH_f, kcal/mol:	-139.92
Dipole, Da:	3.08
IP(EA), eV:	-8.6(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6-ethoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCN(CC2C(=O)NC(CC3=CN=CC=C3)C(=O)N)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations