Geometry & MOs

Info

ID:	256986
PubChem CID:	103142909
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-35.22
Dipole, Da:	9.26
IP(EA), eV:	-9.55(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-[4-(methoxymethyl)phenyl]methanol

Drug info:

PubChemData

Smile

C1COC(CN1)COC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations