Geometry & MOs

Info

ID:	375002
PubChem CID:	131408735
Reduced:	ClON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	210.055991
ΔH_f, kcal/mol:	-10.53
Dipole, Da:	2.61
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[5-chloro-2-(methoxymethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1Cl)C(C#N)N)O

DOS

IR

Vibrations