Geometry & MOs

Info

ID:	333339
PubChem CID:	127251891
Reduced:	SO3N5C20H31 (1)
Stoich.:	AB3C5D20E31 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-120.05
Dipole, Da:	4.38
IP(EA), eV:	-9.18(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)S(=O)(=O)C4CCCCC4)C(=N2)NC

DOS

IR

Vibrations