Geometry & MOs

Info

ID:	333334
PubChem CID:	127251886
Reduced:	SO2N5C21H29 (1)
Stoich.:	AB2C5D21E29 (1)
Weight, g/mol:	438.274324
ΔH_f, kcal/mol:	-31.47
Dipole, Da:	6.86
IP(EA), eV:	-8.88(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)S(=O)(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations