Geometry & MOs

Info

ID:	372215
PubChem CID:	131294408
Reduced:	BrNSO2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-67.72
Dipole, Da:	1.39
IP(EA), eV:	-9.36(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-amino-2-hydroxyethyl)-3-hydroxy-4-methoxybenzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)CCNC2)Br

DOS

IR

Vibrations