Geometry & MOs

Info

ID:	355730
PubChem CID:	127289803
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	361.165108
ΔH_f, kcal/mol:	-66.7
Dipole, Da:	3.47
IP(EA), eV:	-8.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CN4CCC5=CN=CN=C5C4

DOS

IR

Vibrations