Geometry & MOs

Info

ID:	280852
PubChem CID:	103851604
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	319.06841
ΔH_f, kcal/mol:	6.57
Dipole, Da:	2.85
IP(EA), eV:	-8.86(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC2CCC3=C2C=CC=C3O

DOS

IR

Vibrations