Geometry & MOs

Info

ID:	333301
PubChem CID:	127251853
Reduced:	FO2N5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	449.279075
ΔH_f, kcal/mol:	-101.03
Dipole, Da:	9.97
IP(EA), eV:	-9.26(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)C(=O)CCCC4=CC=C(C=C4)F)NC

DOS

IR

Vibrations