Geometry & MOs

Info

ID:	333261
PubChem CID:	127251810
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-89.76
Dipole, Da:	5.56
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-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)C(=O)CCC4=CC=C(C=C4)OC)C(=N2)NC

DOS

IR

Vibrations