Geometry & MOs

Info

ID:	132925
PubChem CID:	51447591
Reduced:	N2O3H24C25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	333.15896
ΔH_f, kcal/mol:	-6.27
Dipole, Da:	4.87
IP(EA), eV:	-8.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-3-amino-1-(4-propan-2-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=CC(=O)/C(=C/3\C(=C(NN3)C)C4=CC=CC=C4OC)/C=C2

DOS

IR

Vibrations