Geometry & MOs

Info

ID:	245208
PubChem CID:	99437886
Reduced:	N3O4C22H33 (1)
Stoich.:	A3B4C22D33 (1)
Weight, g/mol:	498.181567
ΔH_f, kcal/mol:	-193.45
Dipole, Da:	1.65
IP(EA), eV:	-8.02(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(4-fluorophenyl)methyl]-3-N-[[3-(phenylcarbamoylamino)phenyl]methyl]pyrazine-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC2=CC=C(C=C2)NC3CCOCC3

DOS

IR

Vibrations