Geometry & MOs

Info

ID:	173282
PubChem CID:	75617480
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-35.05
Dipole, Da:	2.75
IP(EA), eV:	-9.42(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1CCC(=O)NCC#CC2=CC=CC=C2)N3CCOCC3

DOS

IR

Vibrations