Geometry & MOs

Info

ID:	81564
PubChem CID:	49854868
Reduced:	ISN2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	161.084064
ΔH_f, kcal/mol:	66.86
Dipole, Da:	2.66
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2,3-dihydro-1H-indole-7-carbaldehyde

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)[123I])CN

DOS

IR

Vibrations