Geometry & MOs

Info

ID:	355704
PubChem CID:	127289777
Reduced:	OSN7H15C16 (1)
Stoich.:	ABC7D15E16 (1)
Weight, g/mol:	361.165108
ΔH_f, kcal/mol:	94.72
Dipole, Da:	6.49
IP(EA), eV:	-9.4(-1.74)
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)-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CN4CCC5=CN=CN=C5C4

DOS

IR

Vibrations