Geometry & MOs

Info

ID:	374744
PubChem CID:	131342590
Reduced:	ClN2H7C11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	67.3
Dipole, Da:	1.66
IP(EA), eV:	-9.54(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(dimethylamino)-2-hydroxyphenyl]-3-methylbutanenitrile

Drug info:

PubChemData

Smile

CC1=CN=C(C2=C1C=C(C=C2)C#N)Cl

DOS

IR

Vibrations