Geometry & MOs

Info

ID:	70572
PubChem CID:	48413534
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-52.68
Dipole, Da:	5.01
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=NN(C(C1)C(=O)N)C2=CC=CC=C2

DOS

IR

Vibrations