Geometry & MOs

Info

ID:	132487
PubChem CID:	51368822
Reduced:	FN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-139.67
Dipole, Da:	4.0
IP(EA), eV:	-9.38(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=N1)C2=CC=C(C=C2)F)CC(=O)NCC3=CC=C(C=C3)C(C)C)CCO

DOS

IR

Vibrations