Geometry & MOs

Info

ID:	142362
PubChem CID:	53021638
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	486.217952
ΔH_f, kcal/mol:	-51.93
Dipole, Da:	4.57
IP(EA), eV:	-8.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)NC2CCN(CC2)C3=NC4=C(N=CC=C4)N(C3=O)C

DOS

IR

Vibrations