Geometry & MOs

Info

ID:	255349
PubChem CID:	103131524
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	199.110947
ΔH_f, kcal/mol:	-26.98
Dipole, Da:	8.53
IP(EA), eV:	-9.26(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-3-yl)-2,3-dihydro-1H-indole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O)C2=NN(C=C2)C

DOS

IR

Vibrations