Geometry & MOs

Info

ID:	333298
PubChem CID:	127251850
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	415.25834
ΔH_f, kcal/mol:	-89.79
Dipole, Da:	8.87
IP(EA), eV:	-9.05(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)CC4(CCCCC4)O

DOS

IR

Vibrations