Geometry & MOs

Info

ID:	333357
PubChem CID:	127251909
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	7.68
IP(EA), eV:	-9.12(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C)C3CCN(C3)C(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations