Geometry & MOs

Info

ID:	193856
PubChem CID:	78448503
Reduced:	O2N6C20H29 (1)
Stoich.:	A2B6C20D29 (1)
Weight, g/mol:	287.212338
ΔH_f, kcal/mol:	-2.36
Dipole, Da:	5.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752514
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=NC3C(N2CC4=CC=C(C=C4)C)C(=O)NC(=O)N3C

DOS

IR

Vibrations