Geometry & MOs

Info

ID:	138411
PubChem CID:	52363053
Reduced:	N3C19H19 (1)
Stoich.:	A3B19C19 (1)
Weight, g/mol:	290.165723
ΔH_f, kcal/mol:	91.53
Dipole, Da:	3.9
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2,3-dihydro-1H-inden-1-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@@H]1NCC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations