Geometry & MOs

Info

ID:	355321
PubChem CID:	127288298
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	270.159295
ΔH_f, kcal/mol:	-24.25
Dipole, Da:	6.6
IP(EA), eV:	-9.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCN(CC2)C(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations