Geometry & MOs

Info

ID:	372077
PubChem CID:	131292870
Reduced:	INO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	278.04186
ΔH_f, kcal/mol:	-58.75
Dipole, Da:	3.26
IP(EA), eV:	-9.32(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)I)[C@@](C)(C(=O)OC)N

DOS

IR

Vibrations