Geometry & MOs

Info

ID:	333299
PubChem CID:	127251851
Reduced:	O3N5C22H33 (1)
Stoich.:	A3B5C22D33 (1)
Weight, g/mol:	411.243439
ΔH_f, kcal/mol:	-142.0
Dipole, Da:	5.82
IP(EA), eV:	-9.3(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)C(=O)CC4(CCCCC4)O)NC

DOS

IR

Vibrations