Geometry & MOs

Info

ID:	333361
PubChem CID:	127251913
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	436.258674
ΔH_f, kcal/mol:	-1.55
Dipole, Da:	11.12
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(4-morpholin-4-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)N=C(N=C2NC)C3CCN(C3)C(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations