Geometry & MOs

Info

ID:	375459
PubChem CID:	131529815
Reduced:	BrON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	254.00548
ΔH_f, kcal/mol:	-3.69
Dipole, Da:	3.32
IP(EA), eV:	-9.23(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-bromo-3-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)O)CC(C#N)N

DOS

IR

Vibrations