Geometry & MOs

Info

ID:	138412
PubChem CID:	52363054
Reduced:	N3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	289.157898
ΔH_f, kcal/mol:	112.59
Dipole, Da:	4.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.999227
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1[NH2+]CC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations