Geometry & MOs

Info

ID:	343005
PubChem CID:	127266168
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	9.79
Dipole, Da:	9.42
IP(EA), eV:	-9.1(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCCC(=CC(=O)N1CCC2=C(C1C3=CC=NN3C)N=CN2)CCC

DOS

IR

Vibrations