Geometry & MOs

Info

ID:	333252
PubChem CID:	127251801
Reduced:	SO3N5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	394.215095
ΔH_f, kcal/mol:	-70.04
Dipole, Da:	3.75
IP(EA), eV:	-9.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-2-(1-piperidin-1-ylsulfonylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)S(=O)(=O)C4=CC=CC=C4)C(=N2)NC

DOS

IR

Vibrations