Geometry & MOs

Info

ID:	128484
PubChem CID:	51046502
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	419.145676
ΔH_f, kcal/mol:	-67.79
Dipole, Da:	3.02
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations