Geometry & MOs

Info

ID:	160352
PubChem CID:	57309700
Reduced:	BrSN3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	19.71
Dipole, Da:	2.01
IP(EA), eV:	-8.46(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-amino-1,2-dihydroindol-3-ylidene)methyl]phenol

Drug info:

PubChemData

Smile

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)CS)C

DOS

IR

Vibrations