Geometry & MOs

Info

ID:	255668
PubChem CID:	103133921
Reduced:	ON2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	33.83
Dipole, Da:	4.54
IP(EA), eV:	-9.5(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)C2=CC=CC3=C2C=NC=C3)C

DOS

IR

Vibrations