Geometry & MOs

Info

ID:	130383
PubChem CID:	51075787
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	223.193614
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	3.91
IP(EA), eV:	-9.06(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)NCC(CC1=CC=CC=C1)N(C)C

DOS

IR

Vibrations