Geometry & MOs

Info

ID:	372962
PubChem CID:	131307613
Reduced:	BrNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-8.28
Dipole, Da:	2.19
IP(EA), eV:	-9.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(1-propan-2-ylindol-3-yl)ethanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C(=O)C)Br)CC#N

DOS

IR

Vibrations