Geometry & MOs

Info

ID:	333295
PubChem CID:	127251847
Reduced:	SO3N5C21H29 (1)
Stoich.:	AB3C5D21E29 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-68.39
Dipole, Da:	2.24
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(C2)C3=NC4=C(CN(CC4)C)C(=N3)NC

DOS

IR

Vibrations