Geometry & MOs

Info

ID:	256432
PubChem CID:	103139203
Reduced:	BrNH10C11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	40.23
Dipole, Da:	3.37
IP(EA), eV:	-9.33(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-diethylpyrazol-3-yl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)CCBr

DOS

IR

Vibrations