Geometry & MOs

Info

ID:	375000
PubChem CID:	131408732
Reduced:	ClN4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	210.055991
ΔH_f, kcal/mol:	61.14
Dipole, Da:	5.67
IP(EA), eV:	-9.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1CNCCC1N2C(=C(C=N2)C#N)Cl

DOS

IR

Vibrations