Geometry & MOs

Info

ID:	21577
PubChem CID:	589035
Reduced:	ON3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	28.76
Dipole, Da:	3.43
IP(EA), eV:	-8.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylpyrazol-1-yl)-(1H-indol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=O)C2=CNC3=CC=CC=C32)C

DOS

IR

Vibrations