Geometry & MOs

Info

ID:	253128
PubChem CID:	103116218
Reduced:	ON4H14C16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	242.116761
ΔH_f, kcal/mol:	49.83
Dipole, Da:	6.03
IP(EA), eV:	-8.4(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1,3-dihydroisoindol-2-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC(=C21)N)C(=O)C3=C4C=CC=CN4N=C3

DOS

IR

Vibrations