Geometry & MOs

Info

ID:	189539
PubChem CID:	77869383
Reduced:	N2O2C23H28 (1)
Stoich.:	A2B2C23D28 (1)
Weight, g/mol:	456.217284
ΔH_f, kcal/mol:	-44.76
Dipole, Da:	6.05
IP(EA), eV:	-8.71(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC=C(C1CCNCC1)C2=C(C(=CC(=C2)C3=CC=C(C=C3)OC)C(=O)N)C

DOS

IR

Vibrations