Geometry & MOs

Info

ID:	312695
PubChem CID:	126607441
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-38.69
Dipole, Da:	2.57
IP(EA), eV:	-9.44(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CCC2=CN=CN2

DOS

IR

Vibrations