Geometry & MOs

Info

ID:	121309
PubChem CID:	50762504
Reduced:	ClFN3O3H21C29 (1)
Stoich.:	ABC3D3E21F29 (1)
Weight, g/mol:	475.166269
ΔH_f, kcal/mol:	-82.8
Dipole, Da:	7.89
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[4-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N(C3=O)CC5=C(C=CC=C5Cl)F

DOS

IR

Vibrations