Geometry & MOs

Info

ID:	164970
PubChem CID:	74479509
Reduced:	O2N4C18H23 (1)
Stoich.:	A2B4C18D23 (1)
Weight, g/mol:	301.227989
ΔH_f, kcal/mol:	-30.9
Dipole, Da:	12.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.943830
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)C(=NC(=O)NCC[NH+]3CCCCC3)C=N2

DOS

IR

Vibrations