Geometry & MOs

Info

ID:	333364
PubChem CID:	127251916
Reduced:	ON6C26H36 (1)
Stoich.:	AB6C26D36 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	0.16
Dipole, Da:	5.11
IP(EA), eV:	-8.08(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)C(=O)N3CCC(C3)C4=NC5=C(CCN(C5)C)C(=N4)NC

DOS

IR

Vibrations