Geometry & MOs

Info

ID:	333287
PubChem CID:	127251839
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	-96.58
Dipole, Da:	5.03
IP(EA), eV:	-9.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)CCCC2)C(=O)N3CCC4=C(C3)C(=NC(=N4)C5CCN(C5)C(=O)C)NC

DOS

IR

Vibrations