Geometry & MOs

Info

ID:	333268
PubChem CID:	127251820
Reduced:	ON3C11H17 (2)
Stoich.:	AB3C11D17 (2)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	3.88
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(=O)N2CCC(C2)C3=NC4=C(CN(CC4)C(=O)C)C(=N3)NC

DOS

IR

Vibrations