Geometry & MOs

Info

ID:	333368
PubChem CID:	127251920
Reduced:	ON6C26H36 (1)
Stoich.:	AB6C26D36 (1)
Weight, g/mol:	426.237939
ΔH_f, kcal/mol:	-3.57
Dipole, Da:	7.91
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C(=O)CN3CCC(CC3)CC4=CC=CC=C4)C5CCNC5

DOS

IR

Vibrations