Geometry & MOs

Info

ID:	360681
PubChem CID:	127301326
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-19.06
Dipole, Da:	3.46
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azetidin-1-yl-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)C3=NC(=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations