Geometry & MOs

Info

ID:	371858
PubChem CID:	131275862
Reduced:	ON2F4C8H8 (1)
Stoich.:	AB2C4D8E8 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-232.72
Dipole, Da:	4.97
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-2,3-dihydro-1H-indole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1N)CF)OC(F)(F)F

DOS

IR

Vibrations