Geometry & MOs

Info

ID:	70613
PubChem CID:	48413594
Reduced:	ON4C22H34 (1)
Stoich.:	AB4C22D34 (1)
Weight, g/mol:	362.211804
ΔH_f, kcal/mol:	-26.83
Dipole, Da:	4.36
IP(EA), eV:	-8.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NC(C)CCCN(CC)CC

DOS

IR

Vibrations