Geometry & MOs

Info

ID:	374748
PubChem CID:	131342605
Reduced:	BrNOF4H8C9 (1)
Stoich.:	ABCD4E8F9 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-200.96
Dipole, Da:	1.79
IP(EA), eV:	-10.1(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-(5-methoxy-1-methylindol-2-yl)ethanol

Drug info:

PubChemData

Smile

C(CO)[C@H](C1=C(C(=C(C(=C1F)F)Br)F)F)N

DOS

IR

Vibrations