Geometry & MOs

Info

ID:	256467
PubChem CID:	103139411
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	28.42
Dipole, Da:	4.93
IP(EA), eV:	-8.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-2-methylpyrazol-3-yl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations