Geometry & MOs

Info

ID:	333322
PubChem CID:	127251874
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	425.259089
ΔH_f, kcal/mol:	-58.35
Dipole, Da:	6.95
IP(EA), eV:	-8.5(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-3-methylphenyl)-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CN2CCC3=C(C2)C(=NC(=N3)C4CCN(C4)C(=O)C)NC)C)C)OC

DOS

IR

Vibrations