Geometry & MOs

Info

ID:	333354
PubChem CID:	127251906
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	4.59
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)N=C(N=C2NC)C3CCN(C3)C(=O)CCC4=CC=C(C=C4)OC

DOS

IR

Vibrations