Geometry & MOs

Info

ID:	375458
PubChem CID:	131529814
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	254.00548
ΔH_f, kcal/mol:	53.11
Dipole, Da:	1.59
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-bromo-3-hydroxy-5-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(C2=NSN=C2C)N

DOS

IR

Vibrations