Geometry & MOs

Info

ID:	121314
PubChem CID:	50763003
Reduced:	F3N3O3C24H26 (1)
Stoich.:	A3B3C3D24E26 (1)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	-274.11
Dipole, Da:	7.77
IP(EA), eV:	-9.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(4-methylphenyl)pentanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations