Geometry & MOs

Info

ID:	192131
PubChem CID:	78232769
Reduced:	BrO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	370.262028
ΔH_f, kcal/mol:	11.86
Dipole, Da:	7.26
IP(EA), eV:	-9.62(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2=NC(=O)C3C=CC=CC3=N2)C(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations