Geometry & MOs

Info

ID:	67287
PubChem CID:	46506215
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	369.14887
ΔH_f, kcal/mol:	-160.68
Dipole, Da:	1.84
IP(EA), eV:	-9.5(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCOC

DOS

IR

Vibrations