Geometry & MOs

Info

ID:	333292
PubChem CID:	127251844
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-31.75
Dipole, Da:	4.26
IP(EA), eV:	-8.52(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,6-dimethylphenoxy)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)C(=O)CCC4=CNC5=CC=CC=C54)C(=N2)NC

DOS

IR

Vibrations