Geometry & MOs

Info

ID:	333244
PubChem CID:	127251793
Reduced:	ON3C11H17 (2)
Stoich.:	AB3C11D17 (2)
Weight, g/mol:	426.217952
ΔH_f, kcal/mol:	-76.55
Dipole, Da:	6.47
IP(EA), eV:	-9.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2CCC3=C(C2)C(=NC(=N3)C4CCN(C4)C(=O)C)NC

DOS

IR

Vibrations