Geometry & MOs

Info

ID:	121315
PubChem CID:	50763063
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	516.217284
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	6.2
IP(EA), eV:	-8.53(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-fluorophenyl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CCCCN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations