Geometry & MOs

Info

ID:	333302
PubChem CID:	127251854
Reduced:	O2N5C26H35 (1)
Stoich.:	A2B5C26D35 (1)
Weight, g/mol:	449.279075
ΔH_f, kcal/mol:	-53.21
Dipole, Da:	1.82
IP(EA), eV:	-8.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)CC4=CC(=CC=C4)OC5CCCC5)NC

DOS

IR

Vibrations