Geometry & MOs

Info

ID:	202770
PubChem CID:	79723614
Reduced:	N2F3H9C12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	278.153147
ΔH_f, kcal/mol:	-81.4
Dipole, Da:	2.31
IP(EA), eV:	-9.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(C2=NC=C(C=C2)F)N)F

DOS

IR

Vibrations