Geometry & MOs

Info

ID:	333259
PubChem CID:	127251808
Reduced:	ON5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-40.42
Dipole, Da:	4.61
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-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

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC4CCCCC4)C(=N2)NC

DOS

IR

Vibrations