Geometry & MOs

Info

ID:	318614
PubChem CID:	126652284
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	446.284575
ΔH_f, kcal/mol:	-68.91
Dipole, Da:	8.06
IP(EA), eV:	-9.25(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-4-methyl-N-propan-2-yl-3-(1-propylpiperidin-4-yl)anilino]-3-methyl-1H-indole-6-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CN=C(C=C1)C2=CC=CC=C2C(=O)O

DOS

IR

Vibrations