Geometry & MOs

Info

ID:	123205
PubChem CID:	50837558
Reduced:	N2O2C11H14 (2)
Stoich.:	A2B2C11D14 (2)
Weight, g/mol:	455.213281
ΔH_f, kcal/mol:	-112.85
Dipole, Da:	8.66
IP(EA), eV:	-8.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-3-[1-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2CC(CC2=O)C3=NN=C(O3)NC(=O)CCC4CCCC4

DOS

IR

Vibrations