Geometry & MOs

Info

ID:	449172
PubChem CID:	135296539
Reduced:	F2N4O4H28C29 (1)
Stoich.:	A2B4C4D28E29 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-154.49
Dipole, Da:	4.31
IP(EA), eV:	-8.8(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-1-[7-(5-hydroxypentoxy)isoquinolin-4-yl]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCCOC2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=C(C=C4)F)F)C5=NC=C(C=C5)C=O

DOS

IR

Vibrations