Geometry & MOs

Info

ID:	180649
PubChem CID:	76664567
Reduced:	NCl3O3C9H12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	409.222623
ΔH_f, kcal/mol:	-146.02
Dipole, Da:	5.14
IP(EA), eV:	-10.15(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6-morpholin-4-ylpyridin-3-yl)amino]-7-pyridin-3-yl-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COCC12CCCN1C(OC2=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations