Geometry & MOs

Info

ID:	333331
PubChem CID:	127251883
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-60.1
Dipole, Da:	5.31
IP(EA), eV:	-9.05(-0.27)
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]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(C)C(=O)N2CCC(C2)C3=NC4=C(CN(CC4)C(=O)C)C(=N3)NC

DOS

IR

Vibrations