Geometry & MOs

Info

ID:	233303
PubChem CID:	89649910
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	468.217284
ΔH_f, kcal/mol:	-96.8
Dipole, Da:	3.62
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-morpholin-4-yl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea

Drug info:

PubChemData

Smile

CN1C2=CC=CC(=C2CNC1=O)NC(=O)N[C@@H]3CC4(CCCC4)OC5=CC=CC=C35

DOS

IR

Vibrations