Geometry & MOs

Info

ID:	333237
PubChem CID:	127251786
Reduced:	SO3N6C21H24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	5.11
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1S(=O)(=O)CCCC2=CC=CC=C2)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations