Geometry & MOs

Info

ID:	186655
PubChem CID:	77462981
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	499.259483
ΔH_f, kcal/mol:	-150.67
Dipole, Da:	3.37
IP(EA), eV:	-8.63(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-fluoro-3-[4-(2-methylpyrrolidine-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NC2=C(N(C3=CC=CC=C32)C(=O)N)C(=O)N)O

DOS

IR

Vibrations