Geometry & MOs

Info

ID:	191962
PubChem CID:	78208356
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	342.230728
ΔH_f, kcal/mol:	-37.19
Dipole, Da:	3.81
IP(EA), eV:	-8.79(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N(CCO)CC1C=C2C=C(C=C(C2=NC1=O)C)C

DOS

IR

Vibrations