Geometry & MOs

Info

ID:	333243
PubChem CID:	127251792
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	414.274324
ΔH_f, kcal/mol:	-39.74
Dipole, Da:	9.29
IP(EA), eV:	-8.79(-0.11)
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]-1-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC(=O)N4CCCC5=CC=CC=C54)C(=N2)NC

DOS

IR

Vibrations